SCHEMBL15840583

SCHEMBL15840583

Cc1cc(C(F)F)cc(-n2c(C(C)Nc3nc(N)nc(N)c3C#N)nc3cccc(C#N)c3c2=O)c1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.76
PIK3R1 P27986 14/20 0.76
PIK3CA P42336 2/20 0.63
PIK3CB P42338 2/20 0.63
PIK3CG P48736 2/20 0.63

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
SCHEMBL15840540 0.93 PIK3CD (0.79) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15840533 0.92 PIK3CD (0.89) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15816848 0.92 PIK3CD (0.79) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15816847 0.92 PIK3CD (0.79) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15840538 0.92 PIK3CD (0.78) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15840539 0.91 PIK3CD (0.76) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15840514 0.90 PIK3CD (0.78) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15816196 0.88 PIK3CD (0.83) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15816195 0.88 PIK3CD (0.83) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL15816515 0.88 PIK3CD (0.86) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG

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-2935246-B1 ISOQUINOLINONE OR QUINAZOLINONE PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2018-07-25 EP disclosed
WO-2014100767-A1 ISOQUINOLINONE OR QUINAZOLINONE PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD CALISTOGA LLC (US) 2014-06-26 WO disclosed