SCHEMBL25583408

SCHEMBL25583408

COC(=O)Nc1ccc2c(-c3nc(NCC4CCN(C(=O)OC(C)(C)C)CC4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 10/20 0.42
▸ CDK12 Q9NYV4 10/20 0.42
▸ CDK7 P50613 6/20 0.42
▸ CCNH P51946 6/20 0.42
▸ MNAT1 P51948 5/20 0.42
▸ CCNT1 O60563 7/20 0.39
▸ CDK9 P50750 7/20 0.39
▸ CCNE1 P24864 7/20 0.39
▸ CDK2 P24941 7/20 0.39
▸ MERTK Q12866 1/20 0.39
▸ BCDIN3D Q7Z5W3 1/20 0.39
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ ALK Q9UM73 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ SYK P43405 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ TYK2 P29597 1/20 0.37

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
SCHEMBL25581366 0.88 CCNT1 (0.44) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25581444 0.86 CDK7 (0.44) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25581373 0.85 CCNK (0.47) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25581372 0.85 CCNK (0.47) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25594065 0.85 CDK7 (0.47) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25596475 0.85 CDK7 (0.47) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25595353 0.83 CDK7 (0.43) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25581447 0.83 CCNK (0.41) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25581370 0.83 CCNK (0.45) CCNKCDK12CDK7CCNHMNAT1
SCHEMBL25581371 0.83 CCNK (0.45) CCNKCDK12CDK7CCNHMNAT1

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-2023078451-A1 COMPOUND USED AS CDK7 KINASE INHIBITOR AND USE THEREOF 浙江同源康医药股份有限公司 2023-05-11 — — WO disclosed
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