SCHEMBL44775

SCHEMBL44775

O=[N+]([O-])c1ccc(Cl)cc1C1OCCO1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.51
TSHR P16473 1/20 0.51
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
ALDH1A1 P00352 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
VCAM1 P19320 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
PDE7A Q13946 4/20 0.39
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
PDE7B Q9NP56 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29028424 0.82 HSD11B1 (0.45) MAPK1TSHRLMNAPOLBALDH1A1
SCHEMBL20328777 0.81 TSHR (0.53) TSHRPOLBALDH1A1KMT2AHTT
SCHEMBL17395909 0.81 TDP1 (0.51) TSHRPOLBALDH1A1L3MBTL1VCAM1
SCHEMBL29404173 0.81 HTT (0.40) MAPK1TSHRALDH1A1L3MBTL1HTT
SCHEMBL10658982 0.81 BACE1 (0.41) MAPK1TSHRLMNAALDH1A1L3MBTL1
SCHEMBL30394879 0.79 MAPT (0.46) MAPK1TSHRLMNAPOLBALDH1A1
SCHEMBL26629110 0.78 MAPK1 (0.61) MAPK1TSHRLMNAPOLBALDH1A1
SCHEMBL9651548 0.78 MAPK1 (0.45) MAPK1TSHRLMNAPOLBALDH1A1
SCHEMBL17395915 0.77 ALDH1A1 (0.41) MAPK1TSHRLMNAPOLBALDH1A1
SCHEMBL2476070 0.77 NPC1 (0.47) MAPK1ALDH1A1SMN1; SMN2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2661437-B1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS CENTAURUS BIOPHARMA CO LTD (CN) 2018-11-07 EP disclosed
EP-2590510-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-28 EP disclosed
EP-2590510-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-28 EP disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-9428508-B2 2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3]pyrimidine derivatives as FAK/Pyk2 inhibitors CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-08-30 US disclosed
US-9428508-B2 2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3]pyrimidine derivatives as FAK/Pyk2 inhibitors CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-08-30 US disclosed
US-9428508-B2 2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3]pyrimidine derivatives as FAK/Pyk2 inhibitors CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-08-30 US disclosed
US-9278102-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-08 US disclosed
US-9278102-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-08 US disclosed
US-9278102-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-03-08 US disclosed
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590510-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012092880-A1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS CENTAURUS BIOPHARMA CO., LTD. (CN) 2012-07-12 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006477-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006477-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
CN-102093364-A 2,4-diamido-6,7-dihydro-5H-pyrrolo [2,3] pyrimidine derivative as focal adhesion kinase/pyruvate kinase 2 (FAK/Pyk2) inhibitor BEIJING SAILINTAI PHARMACEUTICAL TECHNOLOGY CO LTD 2011-06-15 CN disclosed
EP-0252503-B1 AMINOIMIDAZOQUINOLINE DERIVATIVES Bristol-Myers Squibb Company (US) 1992-11-19 EP disclosed
EP-0252503-A1 Aminoimidazoquinoline derivatives Bristol-Myers Squibb Company (US) 1988-01-13 EP disclosed
US-4701459-A 7-amino-1,3-dihydro-2H-imidazo[4,5-b]quinolin 2-ones and method for inhibiting phosphodiesterase and blood platelet aggregation BRISTOL-MYERS COMPANY (US) 1987-10-20 US disclosed