SCHEMBL19260978

SCHEMBL19260978

C[C@H](Nc1nccc2[nH]cnc12)c1cc2cccc(-c3cccnc3)c2c(=O)n1C1CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 15/20 0.46
PIK3CD O00329 15/20 0.41
PIK3CA P42336 8/20 0.38
PIK3R1 P27986 2/20 0.38
PIK3CB P42338 7/20 0.37
PIK3R2 O00459 1/20 0.36
ABCB11 O95342 1/20 0.34
TBXA2R P21731 1/20 0.34
HTR2A P28223 1/20 0.34
PDE3A Q14432 1/20 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
SCHEMBL19260981 0.89 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL179575 0.89 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL179655 0.89 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL19260977 0.89 PIK3CG (0.45) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL19260976 0.86 PIK3CG (0.49) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL179591 0.78 PIK3CG (0.66) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL179657 0.78 PIK3CG (0.66) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL179595 0.77 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL19260979 0.77 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB
SCHEMBL179618 0.77 PIK3CG (0.52) PIK3CGPIK3CDPIK3CAPIK3R1PIK3CB

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