SCHEMBL13733749

SCHEMBL13733749

Fc1ccc(-c2ccnn2-c2ccc(N3CCOCC3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
CYP1A2 P05177 2/20 0.51
HPGD P15428 1/20 0.51
CYP2C19 P33261 1/20 0.51
NR3C2 P08235 1/20 0.46
PIM1 P11309 1/20 0.46
AKR1C3 P42330 1/20 0.46
NPC1 O15118 1/20 0.45
AR P10275 1/20 0.45
RAB9A P51151 1/20 0.45
MAPK10 P53779 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CFTR P13569 1/20 0.43
LMNA P02545 2/20 0.43
MAPK14 Q16539 3/20 0.43
MAPK13 O15264 2/20 0.43
MAPK8 P45983 2/20 0.43

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
SCHEMBL13736967 0.85 PTGS2 (0.60) PTGS2ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL13734685 0.85 MAPK9 (0.54) PTGS2ALDH1A1KDM4ECYP1A2NPC1
SCHEMBL27948417 0.85 RPS6KA3 (0.47) PTGS2ALDH1A1NR3C2MAPK10MAPK14
SCHEMBL13735481 0.83 KDM5A (0.47) PTGS2ALDH1A1KDM4ENR3C2NPC1
SCHEMBL28807011 0.82 ALDH1A1 (0.48) PTGS2ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL13735472 0.82 DGAT1 (0.57) PTGS2ALDH1A1KDM4EHPGDNR3C2
SCHEMBL28809098 0.81 KDM4A (0.47) ALDH1A1KDM4EPIM1AKR1C3NPC1
SCHEMBL18867933 0.79 AKR1C3 (0.65) ALDH1A1KDM4ECYP1A2HPGDPIM1
SCHEMBL4972149 0.79 AKR1C3 (0.65) ALDH1A1KDM4ECYP1A2HPGDPIM1
SCHEMBL17086632 0.78 MEN1 (0.50) PTGS2ALDH1A1NR3C2NPC1RAB9A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP claimed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO claimed
CN-103492389-B Pyrazolo [4,3-d] pyrimidine as inhibitors of kinases 原真股份有限公司 2016-09-14 CN disclosed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
CN-103492389-A Pyrazolo [4, 3-d] pyrimidines useful as kinase inhibitors ORIGENIS GMBH 2014-01-01 CN disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 WO disclosed