SCHEMBL1736036

SCHEMBL1736036

Cc1ccc(Cn2c(C)c(C)c3ccnc(-c4ccccc4)c32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.53
FABP4 P15090 1/20 0.45
TP53 P04637 2/20 0.44
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
BCHE P06276 1/20 0.40
PPARG P37231 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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 SCHEMBL1736786 0.99 MCL1 (0.52) MCL1FABP4TP53CCNA2CDK2
SCHEMBL1737158 0.95 MCL1 (0.50) MCL1FABP4TP53CCNA2CDK2
Hydrochloric Acid SCHEMBL1735596 0.94 MCL1 (0.49) MCL1FABP4TP53CCNA2CDK2
SCHEMBL1737107 0.93 FABP4 (0.51) MCL1FABP4PTGDR2MAPTMEN1
SCHEMBL1736998 0.93 MCL1 (0.50) MCL1FABP4TP53CCNA2CDK2
Hydrochloric Acid SCHEMBL1736597 0.92 MCL1 (0.49) MCL1FABP4TP53CCNA2CDK2
Hydrochloric Acid SCHEMBL1736953 0.92 FABP4 (0.50) MCL1FABP4PTGDR2MAPTMEN1
SCHEMBL1737773 0.91 FABP4 (0.44) MCL1FABP4CCNA2CDK2PTGDR2
SCHEMBL1737800 0.90 MCL1 (0.51) MCL1FABP4TP53CCNA2CDK2
Hydrochloric Acid SCHEMBL1735597 0.90 FABP4 (0.43) MCL1FABP4CCNA2CDK2PTGDR2

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