SCHEMBL1738892

SCHEMBL1738892

Cc1c(C)n(Cc2ccc(F)cc2)c2c(-c3ccc(F)cc3)nccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.48
DYRK1A Q13627 2/20 0.39
CLK1 P49759 1/20 0.39
CYP3A4 P08684 3/20 0.39
USP2 O75604 3/20 0.39
CYP1A2 P05177 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP2C9 P11712 2/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 5/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
HSD17B10 Q99714 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 2/20 0.38
MITF O75030 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
CDK9 P50750 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
Hydrochloric Acid SCHEMBL1735775 0.99 MCL1 (0.47) MCL1DYRK1ACLK1CYP3A4USP2
SCHEMBL1737438 0.96 MCL1 (0.46) MCL1DYRK1ACLK1CYP3A4USP2
SCHEMBL1739805 0.96 MCL1 (0.46) MCL1DYRK1ACLK1CYP3A4USP2
SCHEMBL1737563 0.95 MCL1 (0.45) MCL1DYRK1ACLK1CYP3A4USP2
SCHEMBL1737543 0.95 MCL1 (0.45) MCL1DYRK1ACLK1CYP3A4USP2
Hydrochloric Acid SCHEMBL1736791 0.95 MCL1 (0.45) MCL1DYRK1ACLK1CYP3A4USP2
Hydrochloric Acid SCHEMBL1737337 0.95 MCL1 (0.45) MCL1DYRK1ACLK1CYP3A4USP2
Hydrochloric Acid SCHEMBL1737820 0.94 MCL1 (0.44) MCL1DYRK1ACLK1CYP3A4USP2
Hydrochloric Acid SCHEMBL1736600 0.94 MCL1 (0.44) MCL1DYRK1ACLK1CYP3A4USP2
SCHEMBL1737427 0.94 MCL1 (0.48) MCL1CYP3A4CYP1A2ALDH1A1LMNA

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 2 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