SCHEMBL1737800

SCHEMBL1737800

Cc1c(C)n(Cc2ccc(F)cc2)c2c(-c3ccccc3)nccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.51
FABP4 P15090 1/20 0.43
ALDH1A1 P00352 5/20 0.42
USP2 O75604 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 3/20 0.41
CASP1 P29466 3/20 0.41
CASP7 P55210 3/20 0.41
HIF1A Q16665 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41

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
Hydrochloric Acid SCHEMBL1737679 0.99 MCL1 (0.50) MCL1FABP4ALDH1A1USP2CYP1A2
SCHEMBL1737427 0.95 MCL1 (0.48) MCL1FABP4ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1737752 0.94 MCL1 (0.47) MCL1FABP4ALDH1A1CYP1A2CYP3A4
SCHEMBL1738892 0.94 MCL1 (0.48) MCL1FABP4ALDH1A1USP2CYP1A2
Hydrochloric Acid SCHEMBL1735775 0.93 MCL1 (0.47) MCL1FABP4ALDH1A1USP2CYP1A2
SCHEMBL1737107 0.91 FABP4 (0.51) MCL1FABP4ALDH1A1MAPK1SMN1; SMN2
SCHEMBL1737438 0.90 MCL1 (0.46) MCL1ALDH1A1USP2CYP1A2CYP3A4
SCHEMBL1739805 0.90 MCL1 (0.46) MCL1ALDH1A1USP2CYP1A2CYP3A4
SCHEMBL1736036 0.90 MCL1 (0.53) MCL1FABP4ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1736953 0.90 FABP4 (0.50) MCL1FABP4ALDH1A1MAPK1SMN1; SMN2

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-1784404-B1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-11-16 EP claimed
US-20110263306-A1 COMPUTER SYSTEM AND PROGRAM NAMCO BANDAI GAMES INC. (JP) 2011-10-27 US claimed
EP-1784404-A4 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-09-09 EP claimed
JP-2008511621-A 2008-04-17 JP claimed
EP-1784404-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP claimed
WO-2006025716-A1 PYRROLO[2,3-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed