SCHEMBL19216875

SCHEMBL19216875

CN(C)C1CCN(C(=O)c2ccc(NCC(=O)Nc3ccc(-c4nc(N5CCOCC5)c5cc(CN6CCN(S(C)(=O)=O)CC6)cn5n4)cc3)cc2)CC1

nearest known ligand 0.88

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.88
PIK3R1 P27986 7/20 0.72
PIK3CB P42338 3/20 0.50
PIK3CD O00329 2/20 0.50
RAF1 P04049 1/20 0.50
MTOR P42345 7/20 0.49
PIK3CG P48736 3/20 0.48
PIK3C2B O00750 1/20 0.48
PIK3C3 Q8NEB9 1/20 0.48

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
SCHEMBL16611342 0.94 PIK3CA (1.00) PIK3CAPIK3R1PIK3CBPIK3CDRAF1
SCHEMBL16727839 0.86 PIK3CA (0.85) PIK3CAPIK3R1PIK3CBPIK3CDMTOR
SCHEMBL16611569 0.84 PIK3CA (1.00) PIK3CAPIK3R1PIK3CBPIK3CDRAF1
SCHEMBL18373136 0.82 PIK3CA (0.86) PIK3CAPIK3R1PIK3CBPIK3CDRAF1
SCHEMBL16611835 0.82 PIK3CA (1.00) PIK3CAPIK3R1PIK3CBPIK3CDRAF1
SCHEMBL16730946 0.81 PIK3CA (0.82) PIK3CAPIK3R1PIK3CBPIK3CDRAF1
SCHEMBL16611681 0.81 PIK3CA (0.86) PIK3CAPIK3R1PIK3CBPIK3CDRAF1
SCHEMBL16611561 0.80 PIK3CA (1.00) PIK3CAPIK3R1PIK3CBPIK3CDRAF1
SCHEMBL16611061 0.80 PIK3CA (0.84) PIK3CAPIK3R1PIK3CBPIK3CDRAF1
SCHEMBL16622899 0.78 PIK3CA (0.81) PIK3CAPIK3R1PIK3CBPIK3CDRAF1

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-9724352-B2 Pyrrolo[2,1-F[1,2,4]triazine compounds, preparation methods and applications thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2017-08-08 US disclosed