SCHEMBL20530304

SCHEMBL20530304

NC(=O)c1ccc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.38
ADORA1 P30542 3/20 0.38
PARP1 P09874 1/20 0.36
MET P08581 8/20 0.36
DGAT2 Q96PD7 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
GRIN2B Q13224 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
RPS6KB1 P23443 1/20 0.35
CD38 P28907 2/20 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
SCHEMBL20530371 0.89 MET (0.43) ADORA2AADORA1PARP1METSLC22A12
SCHEMBL20530360 0.87 SLC22A12 (0.40) ADORA2AADORA1PARP1METGPR52
SCHEMBL20530291 0.87 PARP1 (0.38) ADORA2AADORA1PARP1METSLC22A12
SCHEMBL20530328 0.87 MKNK2 (0.39) ADORA2AADORA1PARP1METSLC22A12
SCHEMBL22729928 0.87 ADORA2A (0.37) ADORA2AADORA1METDGAT2
SCHEMBL1328827 0.86 MET (0.52) MET
SCHEMBL20530305 0.86 PARP1 (0.39) ADORA2AADORA1PARP1METSLC22A12
SCHEMBL20530285 0.84 PDE4A (0.39) ADORA2AADORA1PARP1METSLC22A12
SCHEMBL20530354 0.83 AR (0.39) ADORA2AADORA1PARP1METSLC22A12
SCHEMBL14797795 0.82 MET (0.49) MET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571878-B1 NOVEL 3,5-DISUBSTITUED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5- DISUBSTITUED -3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDINE COMPOUNDS AS MODULATORS OF PROTEIN KINASES INCOZEN THERAPEUTICS PVT LTD (IN) 2018-10-17 EP claimed