SCHEMBL17529068

SCHEMBL17529068

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

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 17/20 0.58
PIK3CD O00329 11/20 0.48
PIK3CA P42336 11/20 0.44
PIK3R1 P27986 1/20 0.44
PIK3CG P48736 7/20 0.43

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
SCHEMBL15029329 0.92 PIK3CB (0.50) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL15029424 0.91 PIK3CD (0.59) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL10153667 0.90 PIK3CB (0.72) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL17529041 0.86 PIK3CB (0.68) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL15029325 0.85 PIK3CB (0.52) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL10153907 0.83 PIK3CB (0.59) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL17529170 0.83 PIK3CB (0.58) PIK3CBPIK3CDPIK3CAPIK3R1
SCHEMBL15009874 0.83 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL15009872 0.83 PIK3CB (0.60) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG
SCHEMBL9950699 0.83 PIK3CD (0.70) PIK3CBPIK3CDPIK3CAPIK3R1PIK3CG

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
EP-2604601-B1 HETERO RING COMPOUND ASTELLAS PHARMA INC (JP) 2016-02-24 EP disclosed