SCHEMBL1735971

SCHEMBL1735971

Cc1c(C)n(Cc2cccc(F)c2)c2c(N3CCc4ccccc4C3)nc(CNC(C)(C)C)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
MAPT P10636 4/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
NR2F2 P24468 1/20 0.37
RAB9A P51151 1/20 0.37
ENPP2 Q13822 4/20 0.35
CYP1A2 P05177 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP3A4 P08684 2/20 0.34
ATM Q13315 1/20 0.34
CHRM3 P20309 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PDE1C Q14123 1/20 0.34
GRIN2D O15399 3/20 0.34
GRIN3B O60391 3/20 0.34

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 SCHEMBL1736912 0.99 KDM4E (0.36) KDM4EMAPTMAPK1POLBNR2F2
SCHEMBL1739795 0.89 MAPT (0.35) KDM4EMAPTMAPK1POLBNR2F2
Hydrochloric Acid SCHEMBL1737503 0.89 MAPT (0.35) KDM4EMAPTMAPK1POLBNR2F2
SCHEMBL1738005 0.88 MAPT (0.38) KDM4EMAPTMAPK1POLBNR2F2
SCHEMBL1737615 0.88 CHRM3 (0.41) KDM4EMAPTMAPK1POLBNR2F2
SCHEMBL1737294 0.88 GRIN2D (0.37) KDM4EMAPTMAPK1POLBNR2F2
SCHEMBL1739799 0.88 MAPT (0.37) KDM4EMAPTMAPK1POLBNR2F2
SCHEMBL3595156 0.88 GRIN2D (0.42) KDM4EMAPTMAPK1POLBNR2F2
Hydrochloric Acid SCHEMBL1737137 0.88 MAPT (0.37) KDM4EMAPTMAPK1POLBNR2F2
Hydrochloric Acid SCHEMBL1737988 0.87 CHRM3 (0.40) KDM4EMAPTMAPK1POLBNR2F2

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