SCHEMBL16748292

SCHEMBL16748292

Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(-c3ccc(C4(C)NC4=O)cc3)c(=O)n5C)cn2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 20/20 0.59
▸ PIK3CA P42336 6/20 0.59
▸ PIK3CD O00329 4/20 0.59
▸ PIK3CB P42338 4/20 0.59
▸ PIK3CG P48736 4/20 0.59
▸ PIK3C2A O00443 2/20 0.53
▸ PIK3C2B O00750 2/20 0.53
▸ CHEK1 O14757 1/20 0.46
▸ ABCB11 O95342 1/20 0.46
▸ CSF1R P07333 1/20 0.46
▸ MET P08581 1/20 0.46
▸ PIK3R1 P27986 1/20 0.46
▸ LTK P29376 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ NEK2 P51955 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ LIMK1 P53667 1/20 0.46
▸ PRKDC P78527 1/20 0.46
▸ ACVR1 Q04771 1/20 0.46
▸ MAP4K2 Q12851 1/20 0.46

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
SCHEMBL31439313 0.87 MTOR (0.64) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31439341 0.86 MTOR (0.60) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31439327 0.85 MTOR (0.68) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31439316 0.85 MTOR (0.71) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31439309 0.85 MTOR (0.64) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31439377 0.84 MTOR (0.62) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16748295 0.83 MTOR (0.68) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL31439333 0.83 MTOR (0.59) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL15747791 0.83 MTOR (0.61) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL15747818 0.82 MTOR (0.87) MTORPIK3CAPIK3CDPIK3CBPIK3CG

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072893-A1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF Beijing Forelandpharma Co. Ltd. (CN) 2016-09-28 — — EP disclosed
WO-2015074516-A1 KETONE DERIVATIVES OF IMIDAZOLES, PHARMACEUTICAL COMBINATIONS AND USES THEREOF 北京富龙康泰生物技术有限公司 2015-05-28 — — WO disclosed
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