SCHEMBL21482265

SCHEMBL21482265

CNCCNCc1cccc(-c2nc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.60
MTOR P42345 16/20 0.60
PIK3R1 P27986 5/20 0.60
PIK3CD O00329 2/20 0.60
PIK3C2B O00750 2/20 0.60
PIK3CB P42338 2/20 0.60
PIK3CG P48736 2/20 0.60
PRKDC P78527 2/20 0.60
PIK3C3 Q8NEB9 2/20 0.60
PI4KB Q9UBF8 2/20 0.60
RICTOR Q6R327 1/20 0.60
RPTOR Q8N122 1/20 0.60
MAPKAP1 Q9BPZ7 1/20 0.60
MLST8 Q9BVC4 1/20 0.60
PARP1 P09874 1/20 0.49
AKR1C3 P42330 1/20 0.48
PIK3R5 Q8WYR1 1/20 0.48
CARM1 Q86X55 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
SCHEMBL21462147 0.88 PIK3CA (0.59) PIK3CAMTORPIK3R1PIK3CDPIK3C2B
SCHEMBL21486201 0.85 PIK3CA (0.55) PIK3CAMTORPIK3R1CARM1
SCHEMBL21482272 0.82 CARM1 (0.61) PIK3CACARM1
SCHEMBL21482290 0.79 PIK3CA (0.58) PIK3CAMTORPIK3R1CARM1
Bimiralisib SCHEMBL29352266 0.77 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CDPIK3C2B
Bimiralisib SCHEMBL1309049 0.77 PIK3CA (1.00) PIK3CAMTORPIK3R1PIK3CDPIK3C2B
SCHEMBL21482282 0.77 PIK3CA (0.57) PIK3CAMTORPIK3R1CARM1
SCHEMBL21482280 0.76 CARM1 (0.62) PIK3CAMTORPIK3R1PIK3CDPIK3CB
Bimiralisib SCHEMBL29644978 0.76 PIK3CA (0.98) PIK3CAMTORPIK3R1PIK3CDPIK3C2B
Bimiralisib SCHEMBL18428577 0.76 PIK3CA (0.98) PIK3CAMTORPIK3R1PIK3CDPIK3C2B

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
WO-2019196720-A1 ARGININE METHYLTRANSFERASE INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 中国科学院上海药物研究所 2019-10-17 WO disclosed