SCHEMBL16054092

SCHEMBL16054092

CCOC(=O)CC1(c2ccc(-n3c(=O)n(C)c4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2)CN(C(=O)O)C1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 17/20 0.61
▸ PIK3CA P42336 11/20 0.61
▸ PIK3C2A O00443 3/20 0.61
▸ PIK3C2B O00750 3/20 0.61
▸ PIK3CD O00329 10/20 0.54
▸ PIK3CG P48736 7/20 0.54
▸ PIK3CB P42338 6/20 0.54
▸ PRKDC P78527 3/20 0.54
▸ ATM Q13315 2/20 0.54
▸ PIK3R1 P27986 2/20 0.54
▸ RPTOR Q8N122 2/20 0.54
▸ PIK3C3 Q8NEB9 2/20 0.54
▸ MLST8 Q9BVC4 2/20 0.54
▸ CHEK1 O14757 1/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ CSF1R P07333 1/20 0.54
▸ MET P08581 1/20 0.54
▸ LTK P29376 1/20 0.54
▸ CDK7 P50613 1/20 0.54
▸ NEK2 P51955 1/20 0.54

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
SCHEMBL16054292 0.91 MTOR (0.62) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16054241 0.89 MTOR (0.50) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16055456 0.89 MTOR (0.52) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16054172 0.87 MTOR (0.45) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16054163 0.86 PIK3CA (0.43) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16055725 0.85 MTOR (0.60) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16054046 0.82 MTOR (0.66) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16055073 0.80 MTOR (0.51) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16055704 0.80 MTOR (0.48) MTORPIK3CAPIK3C2APIK3C2BPIK3CD
SCHEMBL16054689 0.80 MTOR (0.48) MTORPIK3CAPIK3C2APIK3C2BPIK3CD

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