SCHEMBL16054066

SCHEMBL16054066

CCCCOC(=O)N1CC(CC(=O)O)(c2ccc(-n3c(=O)n(C)c4cnc5ccc(-c6cccnc6)cc5c43)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 12/20 0.47
▸ PIK3CA P42336 11/20 0.47
▸ PIK3CD O00329 7/20 0.47
▸ PIK3CB P42338 5/20 0.47
▸ PIK3CG P48736 5/20 0.47
▸ PIK3C2A O00443 2/20 0.44
▸ PIK3C2B O00750 2/20 0.44
▸ ATM Q13315 13/20 0.43
▸ ATR Q13535 5/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ AKT1 P31749 1/20 0.41
▸ CHEK1 O14757 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ MET P08581 1/20 0.39
▸ PIK3R1 P27986 1/20 0.39
▸ LTK P29376 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ NEK2 P51955 1/20 0.39
▸ JAK3 P52333 1/20 0.39

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
SCHEMBL16054400 0.89 MTOR (0.47) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16054241 0.86 MTOR (0.50) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16054704 0.80 MTOR (0.51) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16054293 0.78 MTOR (0.53) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16055725 0.78 MTOR (0.60) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16055456 0.75 MTOR (0.52) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16054092 0.75 MTOR (0.61) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16055111 0.75 MTOR (0.51) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16055207 0.74 MTOR (0.46) MTORPIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL928744 0.74 MTOR (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014141118-A1 IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AND USES THEREOF Piramal Enterprises Limited (IN) 2014-09-18 — — WO claimed
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