SCHEMBL29679027

SCHEMBL29679027

N#CCCC#Cc1ccc(NC(=O)Cc2cccc(OC(F)(F)F)c2)nn1

nearest known ligand 0.53

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 20/20 0.53

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
SCHEMBL15728060 1.00 GLS (0.53) GLS
SCHEMBL16887486 0.84 GLS (0.47) GLS
SCHEMBL16887474 0.84 BRAF (0.48) GLS
SCHEMBL16887490 0.84 GLS (0.46) GLS
SCHEMBL16887482 0.83 GLS (0.46) GLS
SCHEMBL14987150 0.82 GLS (0.52) GLS
SCHEMBL29678831 0.81 GLS (0.71) GLS
SCHEMBL14976200 0.81 GLS (0.71) GLS
SCHEMBL17390611 0.80 GLS (0.48) GLS
SCHEMBL16887479 0.80 BRAF (0.43) GLS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114560855-B Cycloalkyl carboxamide derivatives, preparation method and application thereof 成都苑东生物制药股份有限公司 2023-05-23 — — CN disclosed
CN-116023375-A Heterocyclic derivative, preparation method and application thereof 成都苑东生物制药股份有限公司 2023-04-28 — — CN disclosed
CN-114805346-A Heterocyclic derivative, preparation method and application thereof 成都硕德药业有限公司 2022-07-29 — — CN disclosed
CN-114560855-A Cycloalkylcarboxamide derivative, preparation method and application thereof 成都苑东生物制药股份有限公司 2022-05-31 — — CN disclosed
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