SCHEMBL18075715

SCHEMBL18075715

COc1nc(N[C@@H](C)c2cc3cccc(-c4cnc(O)nc4)c3c(=O)n2-c2ccccc2)c2ncccc2n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 20/20 0.45
PIK3CD O00329 16/20 0.45
PIK3R1 P27986 8/20 0.45
PIK3CB P42338 6/20 0.41
PIK3CA P42336 5/20 0.41
PIK3R2 O00459 3/20 0.41
ABCB11 O95342 1/20 0.41
TBXA2R P21731 1/20 0.41
HTR2A P28223 1/20 0.41
PDE3A Q14432 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
SCHEMBL14649536 0.94 PIK3CG (0.45) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL14649521 0.93 PIK3CG (0.45) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL14667073 0.88 PIK3CG (0.41) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL14649485 0.88 PIK3CG (0.46) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL18074946 0.88 PIK3CG (0.46) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL14649374 0.88 PIK3CG (0.41) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL14649235 0.87 PIK3CG (0.42) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL14649373 0.86 PIK3CG (0.48) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL14649378 0.86 PIK3CD (0.56) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA
SCHEMBL14649114 0.85 PIK3CG (0.45) PIK3CGPIK3CDPIK3R1PIK3CBPIK3CA

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-2734520-B1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS INC (US) 2016-09-14 EP disclosed