SCHEMBL9960770

SCHEMBL9960770

O=c1cc(N2CCOCC2)nc2n1CCC(C(F)(F)F)N2CC1CC1

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.68
PIK3C3 Q8NEB9 6/20 0.68
PIK3R1 P27986 14/20 0.65
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53

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
SCHEMBL9953752 1.00 PIK3CA (0.68) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL9955527 0.86 PIK3CA (0.73) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL9954673 0.85 PIK3CA (0.68) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL9954680 0.85 PIK3CA (0.68) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL26198636 0.85 PIK3CA (0.68) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL931532 0.84 PIK3CA (0.72) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL9955931 0.84 PIK3CA (0.72) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL15346551 0.84 PIK3CA (0.72) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL931536 0.84 PIK3CA (0.75) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG
SCHEMBL931535 0.84 PIK3CA (0.75) PIK3CAPIK3C3PIK3R1PIK3CBPIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655375-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2013-10-30 EP disclosed
WO-2012085244-A1 PYRIMIDINONE DERIVATIVES, PREPARATION THEREOF AND PHARMACEUTICAL USE THEREOF SANOFI (FR) 2012-06-28 WO disclosed