SCHEMBL19260985

SCHEMBL19260985

Cc1cccc(-n2c([C@H](C)Nc3ncnc4[nH]cnc34)cc3cccc(-c4cnn(C)c4)c3c2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 17/20 0.61
PIK3CD O00329 15/20 0.48
PIK3CA P42336 7/20 0.48
PIK3CB P42338 6/20 0.48
PIK3R1 P27986 4/20 0.48
ABCB11 O95342 1/20 0.48
TBXA2R P21731 1/20 0.48
HTR2A P28223 1/20 0.48
PDE3A Q14432 1/20 0.48
PIK3R2 O00459 4/20 0.40

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
SCHEMBL179647 0.94 PIK3CG (0.66) PIK3CGPIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL179569 0.94 PIK3CG (0.66) PIK3CGPIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL179608 0.92 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL14667235 0.87 PIK3CG (0.59) PIK3CGPIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL14665442 0.86 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL9884373 0.85 PIK3R1 (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL9884375 0.85 PIK3R1 (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL179581 0.85 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL179657 0.85 PIK3CG (0.66) PIK3CGPIK3CDPIK3CAPIK3CBPIK3R1
SCHEMBL179591 0.85 PIK3CG (0.66) PIK3CGPIK3CDPIK3CAPIK3CBPIK3R1

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
US-9738644-B2 Chemical compounds, compositions and methods for kinase modulation INFINITY PHARMACEUTICALS, INC. (US) 2017-08-22 US disclosed