SCHEMBL16308263

SCHEMBL16308263

Cc1cccc2c1nc(C(F)F)n2-c1cc(O[C@H]2CC[C@H](N)CC2)nc(N2CCOCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 16/20 0.55
PIK3CA P42336 7/20 0.49
PIK3CD O00329 6/20 0.49
PIK3R1 P27986 4/20 0.49
PIK3CG P48736 2/20 0.47

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
SCHEMBL15029434 0.89 PIK3CB (0.67) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL9950973 0.86 PIK3CB (0.67) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL9950975 0.86 PIK3CB (0.67) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15029325 0.84 PIK3CB (0.52) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15029966 0.81 PIK3CB (0.63) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15009172 0.81 PIK3CB (0.63) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15030047 0.81 PIK3CB (0.63) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15029624 0.81 PIK3CB (0.63) PIK3CBPIK3CAPIK3CDPIK3R1PIK3CG
SCHEMBL15029343 0.78 PIK3CB (0.51) PIK3CBPIK3CAPIK3CDPIK3R1
SCHEMBL15029433 0.78 PIK3CB (0.60) PIK3CBPIK3CAPIK3CDPIK3R1

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-8912180-B2 Heterocyclic compound ASTELLAS PHARMA INC. (JP) 2014-12-16 US disclosed