SCHEMBL2392322

SCHEMBL2392322

COc1ccc(CN(Cc2ccc(OC)cc2)c2ncc(-c3nc(N4CCOCC4)nc4c3CCN4C(=S)Nc3ccc(C(=O)N4CCOCC4)cc3C)cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.63
PIK3R1 P27986 14/20 0.63
PIK3CB P42338 3/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PIK3CD O00329 2/20 0.39

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
SCHEMBL2377227 0.97 PIK3CA (0.61) PIK3CAPIK3R1PIK3CB
SCHEMBL2376987 0.96 PIK3CA (0.69) PIK3CAPIK3R1PIK3CBPIK3CD
SCHEMBL2377842 0.95 PIK3CA (0.56) PIK3CAPIK3R1PIK3CBHPGDSMN1; SMN2
SCHEMBL2377779 0.94 PIK3CA (0.70) PIK3CAPIK3R1PIK3CBHPGDSMN1; SMN2
SCHEMBL2378334 0.92 PIK3CA (0.55) PIK3CAPIK3R1PIK3CB
SCHEMBL2377817 0.91 PIK3CA (0.68) PIK3CAPIK3R1PIK3CBPIK3CD
SCHEMBL2378840 0.91 PIK3CA (0.77) PIK3CAPIK3R1PIK3CBPIK3CD
SCHEMBL2378847 0.89 PIK3CA (0.51) PIK3CAPIK3R1PIK3CBSMN1; SMN2
SCHEMBL2379435 0.89 PIK3CA (0.63) PIK3CAPIK3R1PIK3CBHPGDSMN1; SMN2
SCHEMBL2375640 0.88 PIK3CA (0.58) PIK3CAPIK3R1PIK3CBPIK3CD

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