SCHEMBL15747742

SCHEMBL15747742

COCCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(C3CCN(S(C)(=O)=O)CC3)cc2)c(=O)n4C)cn1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 19/20 0.54
▸ MTOR P42345 14/20 0.54
▸ PIK3CA P42336 11/20 0.52
▸ ATR Q13535 6/20 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
SCHEMBL15747781 0.89 ATM (0.59) ATMMTORPIK3CAATR
SCHEMBL15747809 0.89 ATM (0.53) ATMMTORPIK3CAATRKCNH2
SCHEMBL15747811 0.83 ATM (0.52) ATMMTORPIK3CAATRKCNH2
SCHEMBL15747884 0.83 MTOR (0.49) ATMMTORPIK3CAATR
SCHEMBL15747807 0.83 MTOR (0.63) ATMMTORPIK3CAATR
SCHEMBL15747878 0.82 MTOR (0.71) MTORPIK3CA
SCHEMBL14872807 0.79 MTOR (0.69) ATMMTORPIK3CAATRKCNH2
SCHEMBL3516155 0.75 ATM (0.53) ATMMTORPIK3CAATRKCNH2
SCHEMBL2069625 0.74 ATM (0.54) ATMMTORPIK3CAATRKCNH2
SCHEMBL15747752 0.73 MTOR (0.69) ATMMTORPIK3CAATR

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
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