SCHEMBL17529202

SCHEMBL17529202

CCCCOC(=O)N1CCC(CNc2nc(N3CCOCC3)cc(-n3c(C(F)F)nc4c(OC)cccc43)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.59
PIK3CB P42338 5/20 0.59
PIK3CD O00329 5/20 0.59
PIK3R1 P27986 5/20 0.59
PIK3CG P48736 2/20 0.51

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
SCHEMBL17529032 0.85 PIK3CB (0.47) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL15029985 0.83 PIK3CA (0.56) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL15029618 0.83 PIK3CB (0.65) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL15029345 0.83 PIK3CB (0.67) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL17529050 0.82 PIK3CB (0.51) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL17529135 0.81 PIK3CA (0.47) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL17529053 0.80 PIK3CB (0.48) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL16308161 0.80 PIK3CA (0.50) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG
SCHEMBL2815524 0.80 PIK3CA (0.75) PIK3CAPIK3CBPIK3CDPIK3R1
SCHEMBL17529031 0.79 PIK3CB (0.60) PIK3CAPIK3CBPIK3CDPIK3R1PIK3CG

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