SCHEMBL16309693

SCHEMBL16309693

Cc1ccc2nc(C(F)F)n(-c3cc(N4CCOCC4)nc(N[C@H]4CC[C@H](NC(=O)CN(C)C)CC4)n3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.67
PIK3CB P42338 12/20 0.46
PIK3CA P42336 9/20 0.45
PIK3R1 P27986 1/20 0.42
PIK3CG P48736 2/20 0.39
RAF1 P04049 1/20 0.38
NAPEPLD Q6IQ20 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
SCHEMBL10124342 0.91 PIK3CD (0.80) PIK3CDPIK3CBPIK3CAPIK3R1PIK3CG
SCHEMBL16309694 0.89 PIK3CB (0.55) PIK3CDPIK3CBPIK3CAPIK3R1PIK3CG
SCHEMBL16309716 0.88 PIK3CD (0.65) PIK3CDPIK3CBPIK3CAPIK3R1PIK3CG
SCHEMBL15029429 0.87 PIK3CD (0.53) PIK3CDPIK3CBPIK3CAPIK3R1PIK3CG
SCHEMBL16308262 0.86 PIK3CD (0.49) PIK3CDPIK3CBPIK3CAPIK3R1PIK3CG
SCHEMBL15009578 0.86 PIK3CB (0.48) PIK3CDPIK3CBPIK3CAPIK3R1PIK3CG
SCHEMBL15009575 0.86 PIK3CB (0.48) PIK3CDPIK3CBPIK3CAPIK3R1PIK3CG
SCHEMBL15008843 0.85 PIK3CB (0.50) PIK3CDPIK3CBPIK3CAPIK3R1PIK3CG
SCHEMBL15008839 0.85 PIK3CB (0.50) PIK3CDPIK3CBPIK3CAPIK3R1PIK3CG
SCHEMBL15029321 0.85 PIK3CD (0.71) PIK3CDPIK3CBPIK3CAPIK3R1PIK3CG

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