SCHEMBL19216877

SCHEMBL19216877

CS(=O)(=O)N1CCN(C(=O)c2cc3c(N4CC5CCC4CO5)nc(-c4cnc(N)cc4C(F)(F)F)nn3c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.59
PIK3R1 P27986 13/20 0.53
PIK3CG P48736 2/20 0.49
PIK3CD O00329 2/20 0.49
PIK3CB P42338 2/20 0.49
PIK3R5 Q8WYR1 1/20 0.45
RAF1 P04049 1/20 0.43
MTOR P42345 7/20 0.40
RPTOR Q8N122 7/20 0.40
MLST8 Q9BVC4 7/20 0.40
RICTOR Q6R327 6/20 0.38
MAPKAP1 Q9BPZ7 6/20 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
SCHEMBL16622909 0.87 PIK3CA (0.75) PIK3CAPIK3R1PIK3CGPIK3CDPIK3CB
SCHEMBL16611584 0.84 PIK3CA (0.76) PIK3CAPIK3R1PIK3CGPIK3CDPIK3CB
SCHEMBL16611585 0.84 PIK3CA (0.76) PIK3CAPIK3R1PIK3CGPIK3CDPIK3CB
SCHEMBL16611275 0.82 PIK3CA (0.74) PIK3CAPIK3R1PIK3CGPIK3CDPIK3CB
SCHEMBL19216878 0.81 PIK3CA (0.56) PIK3CAPIK3R1PIK3CGPIK3CDPIK3CB
SCHEMBL16727877 0.78 PIK3CA (0.62) PIK3CAPIK3R1PIK3CGPIK3CDPIK3CB
SCHEMBL16727878 0.76 PIK3CA (0.63) PIK3CAPIK3R1PIK3CGPIK3CDPIK3CB
SCHEMBL19216996 0.75 PIK3CA (0.75) PIK3CAPIK3R1PIK3CGPIK3CDPIK3CB
SCHEMBL16611564 0.74 PIK3CA (1.00) PIK3CAPIK3R1PIK3CGPIK3CDPIK3CB
SCHEMBL16727876 0.73 PIK3CA (0.75) PIK3CAPIK3R1PIK3CGPIK3CDPIK3CB

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