SCHEMBL31439343

SCHEMBL31439343

CC(C)(C#N)c1ccc(Nc2c([N+](=O)[O-])cnc3ccc(Cl)nc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 10/20 0.42
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1G2 P78368 1/20 0.37
▸ PIN1 Q13526 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ PTK2B Q14289 1/20 0.35
▸ PIK3CA P42336 3/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ STK17A Q9UEE5 1/20 0.34

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
SCHEMBL15747832 1.00 MTOR (0.42) MTORCSNK1DCSNK1G2PIN1FGFR4
SCHEMBL14978583 0.83 MTOR (0.44) MTORPIK3CA
SCHEMBL31439307 0.82 MTOR (0.47) MTORCSNK1DCSNK1G2PIK3CAGSK3B
SCHEMBL15747836 0.82 MTOR (0.47) MTORCSNK1DCSNK1G2PIK3CAGSK3B
SCHEMBL1025709 0.82 MTOR (0.48) MTORCSNK1DCSNK1G2MAPTSTK17A
SCHEMBL14978610 0.80 MTOR (0.42) MTORCSNK1DCSNK1G2PIK3CAGSK3B
SCHEMBL16086154 0.80 MTOR (0.43) MTORCSNK1DCSNK1G2PIK3CAGSK3B
SCHEMBL1026484 0.79 MTOR (0.49) MTORCSNK1DCSNK1G2KMT2AMAPT
SCHEMBL12928937 0.78 MTOR (0.48) MTORCSNK1DCSNK1G2MEN1KMT2A
SCHEMBL994392 0.78 MTOR (0.48) MTORCSNK1DCSNK1G2

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
CN-119661531-A Imidazolone compound as well as preparation method and application thereof 北京富龙康泰生物技术有限公司 2025-03-21 — — CN disclosed
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