SCHEMBL2377877

SCHEMBL2377877

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4C(=S)Nc3cccc(C(=O)N4CCN(C)CC4)c3)cn2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.53
PIK3R1 P27986 8/20 0.49
PIK3CB P42338 2/20 0.40
MTOR P42345 2/20 0.39
PIK3CG P48736 2/20 0.39
PRKAB2 O43741 1/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA2 P54646 1/20 0.39
PRKAA1 Q13131 1/20 0.39
PRKAG3 Q9UGI9 1/20 0.39
PRKAG2 Q9UGJ0 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL2378847 0.97 PIK3CA (0.51) PIK3CAPIK3R1PIK3CBMTORPIK3CG
SCHEMBL2378334 0.90 PIK3CA (0.55) PIK3CAPIK3R1PIK3CBMTORPIK3CG
SCHEMBL2377227 0.90 PIK3CA (0.61) PIK3CAPIK3R1PIK3CBMTORPIK3CG
SCHEMBL2377537 0.87 PIK3CA (0.53) PIK3CAPIK3R1PIK3CBLMNA
SCHEMBL2378088 0.87 PIK3CA (0.56) PIK3CAPIK3R1PIK3CB
SCHEMBL2377429 0.87 PIK3CA (0.54) PIK3CAPIK3R1PIK3CBLMNA
SCHEMBL2377842 0.87 PIK3CA (0.56) PIK3CAPIK3R1PIK3CB
SCHEMBL2392322 0.87 PIK3CA (0.63) PIK3CAPIK3R1PIK3CB
SCHEMBL2377886 0.86 PIK3CA (0.72) PIK3CAPIK3R1
SCHEMBL2376909 0.85 PIK3CA (0.61) PIK3CAPIK3R1PIK3CBMTORPIK3CG

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-8022205-B2 Pyrimidine derivatives as PI3K inhibitor and use thereof CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-09-20 US disclosed