SCHEMBL15747802

SCHEMBL15747802

Cn1c(=O)n(-c2ccc(C(C)(C)C#N)cc2)c2c3cc(-c4ccc(-c5ccc(-c6ccncc6)nc5)nc4)ccc3ncc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.72
PIK3CA P42336 16/20 0.72
PIK3CD O00329 8/20 0.72
PIK3CG P48736 7/20 0.72
PIK3CB P42338 6/20 0.72
PIK3C2A O00443 2/20 0.72
PIK3C2B O00750 2/20 0.72
PRKDC P78527 2/20 0.72
ATM Q13315 2/20 0.72
CHEK1 O14757 1/20 0.72
ABCB11 O95342 1/20 0.72
CSF1R P07333 1/20 0.72
MET P08581 1/20 0.72
PIK3R1 P27986 1/20 0.72
LTK P29376 1/20 0.72
CDK7 P50613 1/20 0.72
NEK2 P51955 1/20 0.72
JAK3 P52333 1/20 0.72
LIMK1 P53667 1/20 0.72
ACVR1 Q04771 1/20 0.72

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
SCHEMBL15747770 1.00 MTOR (0.72) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL927255 0.93 PIK3CA (0.77) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15747774 0.92 MTOR (0.79) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15747760 0.92 MTOR (0.79) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15747853 0.92 MTOR (0.72) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15747737 0.92 MTOR (0.72) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15747879 0.92 PIK3CA (0.72) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15747813 0.89 MTOR (0.89) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15747868 0.89 MTOR (0.87) MTORPIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL15747818 0.89 MTOR (0.87) MTORPIK3CAPIK3CDPIK3CGPIK3CB

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-2014079364-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 北京富龙康泰生物技术有限公司 (CN) 2014-05-30 WO disclosed