SCHEMBL14872807

SCHEMBL14872807

COCCOc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(C(C)(C)C#N)cc2)c(=O)n4C)cn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 15/20 0.69
▸ PIK3CA P42336 14/20 0.69
▸ ATM Q13315 9/20 0.69
▸ PIK3CD O00329 6/20 0.69
▸ PIK3CG P48736 6/20 0.69
▸ PIK3CB P42338 5/20 0.69
▸ PIK3C3 Q8NEB9 2/20 0.69
▸ ATR Q13535 2/20 0.69
▸ PIK3C2A O00443 1/20 0.69
▸ PIK3C2B O00750 1/20 0.69
▸ CHEK1 O14757 1/20 0.69
▸ ABCB11 O95342 1/20 0.69
▸ CSF1R P07333 1/20 0.69
▸ MET P08581 1/20 0.69
▸ PIK3R1 P27986 1/20 0.69
▸ LTK P29376 1/20 0.69
▸ CDK7 P50613 1/20 0.69
▸ NEK2 P51955 1/20 0.69
▸ JAK3 P52333 1/20 0.69
▸ LIMK1 P53667 1/20 0.69

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
SCHEMBL928267 0.91 MTOR (0.76) MTORPIK3CAATMPIK3CDPIK3CG
SCHEMBL14872905 0.90 MTOR (0.71) MTORPIK3CAATMPIK3CDPIK3CG
SCHEMBL14872954 0.90 PIK3CA (0.69) MTORPIK3CAATMPIK3CDPIK3CG
SCHEMBL14872809 0.89 MTOR (0.69) MTORPIK3CAATMPIK3CDPIK3CG
SCHEMBL14872826 0.88 PIK3CA (0.67) MTORPIK3CAATMPIK3CDPIK3CG
SCHEMBL14872889 0.87 PIK3CA (0.71) MTORPIK3CAATMPIK3CDPIK3CG
SCHEMBL14872907 0.86 PIK3CA (0.70) MTORPIK3CAATMPIK3CDPIK3CG
SCHEMBL14872789 0.85 PIK3CA (0.64) MTORPIK3CAATMPIK3CDPIK3CG
SCHEMBL14872960 0.84 MTOR (0.68) MTORPIK3CAATMPIK3CDPIK3CG
SCHEMBL14873038 0.84 PIK3CA (0.77) MTORPIK3CAATMPIK3CDPIK3CG

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-2013053273-A1 IMIDAZO QUINOLINE DERIVATIVE AND MEDICINAL SALT THEREOF, PREPARATION METHOD THEREOF AND USE IN MEDICINE THEREOF 上海恒瑞医药有限公司 (CN) 2013-04-18 — — WO disclosed
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