SCHEMBL9034353

SCHEMBL9034353

[c]1oc2ccccc2c1-c1ccccc1SCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
HTT P42858 2/20 0.36
MAPT P10636 6/20 0.35
ATM Q13315 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
S100A4 P26447 1/20 0.34
ELANE P08246 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
EGFR P00533 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL6402819 0.71 POLB (0.42) POLBHTTMAPTKMT2AMEN1
SCHEMBL7034667 0.69 POLB (0.41) POLBHTTMAPTATMKMT2A
SCHEMBL6777717 0.69 POLB (0.59) POLBMAPTKMT2AMEN1S100A4
SCHEMBL11728712 0.68 AKR1C3 (0.42) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL6256201 0.68 MAPT (0.44) HTTMAPTATMKMT2AMEN1
SCHEMBL7972358 0.68 CYP2A6 (0.38) HTTKMT2AMEN1ALDH1A1NPC1
SCHEMBL2958656 0.67 CA1 (0.36) HTTMAPTKMT2AMEN1ALDH1A1
SCHEMBL4355515 0.67 POLB (0.44) POLBHTTMAPTKMT2AMEN1
SCHEMBL8631968 0.66 POLB (0.42) POLBHTTMAPTKMT2AMEN1
SCHEMBL6050865 0.65 MAPT (0.38) POLBHTTMAPTATMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383875-B1 3-PYRIMIDINYL PYRROLO [2,3-B] PYRIDINE AS ANTICANCER AGENTS AND THE PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2022-02-09 EP claimed
EP-3383875-A1 3-PYRIMIDINYL PYRROLO [2,3-b] PYRIDINE AS ANTICANCER AGENTS AND THE PROCESS FOR THE PREPARATION THEREOF Council Of Scientific & Industrial Research (IN) 2018-10-10 EP claimed
WO-2017094026-A1 3-PYRIMIDINYL PYRROLO [2,3-B] PYRIDINE AS NEW ANTICANCER AGENTS AND THE PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-06-08 WO claimed
CN-112239472-B Organic compound, organic light emitting diode including the same, and organic light emitting device 乐金显示有限公司 2023-06-16 CN disclosed
EP-3383875-B1 3-PYRIMIDINYL PYRROLO [2,3-B] PYRIDINE AS ANTICANCER AGENTS AND THE PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2022-02-09 EP disclosed
EP-3383875-A1 3-PYRIMIDINYL PYRROLO [2,3-b] PYRIDINE AS ANTICANCER AGENTS AND THE PROCESS FOR THE PREPARATION THEREOF Council Of Scientific & Industrial Research (IN) 2018-10-10 EP disclosed
WO-2017094026-A1 3-PYRIMIDINYL PYRROLO [2,3-B] PYRIDINE AS NEW ANTICANCER AGENTS AND THE PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-06-08 WO disclosed
EP-0739336-A1 GEM-DISUBSTITUTED AZACYCLIC TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 1996-10-30 EP disclosed
WO-1995019344-A1 GEM-DISUBSTITUTED AZACYCLIC TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1995-07-20 WO disclosed