SCHEMBL15747809

SCHEMBL15747809

COCCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c(=O)n4C)cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 17/20 0.53
▸ MTOR P42345 14/20 0.53
▸ PIK3CA P42336 12/20 0.52
▸ PIK3CD O00329 3/20 0.52
▸ PIK3CB P42338 3/20 0.52
▸ PIK3CG P48736 3/20 0.52
▸ CSNK2A2 P19784 1/20 0.52
▸ FECH P22830 1/20 0.52
▸ CLK1 P49759 1/20 0.52
▸ GSK3A P49840 1/20 0.52
▸ DYRK1A Q13627 1/20 0.52
▸ MELK Q14680 1/20 0.52
▸ MYLK3 Q32MK0 1/20 0.52
▸ PIK3C3 Q8NEB9 1/20 0.52
▸ PIP4K2C Q8TBX8 1/20 0.52
▸ TP53RK Q96S44 1/20 0.52
▸ ATR Q13535 5/20 0.51
▸ KCNH2 Q12809 1/20 0.49

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
SCHEMBL15747742 0.89 ATM (0.54) ATMMTORPIK3CAATRKCNH2
SCHEMBL15747781 0.81 ATM (0.59) ATMMTORPIK3CAPIK3CDPIK3CB
SCHEMBL14872807 0.81 MTOR (0.69) ATMMTORPIK3CAPIK3CDPIK3CB
SCHEMBL3516155 0.77 ATM (0.53) ATMMTORPIK3CAATRKCNH2
SCHEMBL2069625 0.76 ATM (0.54) ATMMTORPIK3CAATRKCNH2
SCHEMBL15747811 0.75 ATM (0.52) ATMMTORPIK3CAPIK3CDPIK3CB
SCHEMBL927498 0.73 MTOR (0.68) ATMMTORPIK3CAPIK3CDPIK3CB
SCHEMBL9905208 0.73 MTOR (0.58) ATMMTORPIK3CAPIK3CDPIK3CB
SCHEMBL2068197 0.73 ATM (0.46) ATMMTORPIK3CAPIK3CDPIK3CB
SCHEMBL930048 0.73 MTOR (0.62) ATMMTORPIK3CAPIK3CDPIK3CB

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
Send feedback