SCHEMBL16308153

SCHEMBL16308153

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

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.48
PIK3CB P42338 6/20 0.47
PIK3CD O00329 5/20 0.47
PIK3R1 P27986 5/20 0.47
NAPEPLD Q6IQ20 1/20 0.42
PIK3CG P48736 2/20 0.40

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
SCHEMBL10124320 0.89 PIK3CB (0.51) PIK3CAPIK3CBPIK3CDPIK3R1NAPEPLD
SCHEMBL16308154 0.89 PIK3CB (0.41) PIK3CAPIK3CBPIK3CDPIK3R1NAPEPLD
SCHEMBL16308161 0.89 PIK3CA (0.50) PIK3CAPIK3CBPIK3CDPIK3R1NAPEPLD
SCHEMBL17529135 0.88 PIK3CA (0.47) PIK3CAPIK3CBPIK3CDPIK3R1NAPEPLD
SCHEMBL16308169 0.86 PIK3CB (0.41) PIK3CAPIK3CBPIK3CDPIK3R1NAPEPLD
SCHEMBL16308168 0.86 PIK3CB (0.41) PIK3CAPIK3CBPIK3CDPIK3R1NAPEPLD
SCHEMBL10124714 0.85 PIK3CB (0.41) PIK3CAPIK3CBPIK3CDPIK3R1NAPEPLD
SCHEMBL10124715 0.85 PIK3CB (0.41) PIK3CAPIK3CBPIK3CDPIK3R1NAPEPLD
SCHEMBL16308260 0.84 PIK3CB (0.49) PIK3CAPIK3CBPIK3CDPIK3R1NAPEPLD
SCHEMBL15029343 0.83 PIK3CB (0.51) PIK3CAPIK3CBPIK3CDPIK3R1NAPEPLD

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