SCHEMBL25583323

SCHEMBL25583323

COC(=O)Nc1ccc2c(-c3nc(NCc4c[nH]cn4)ncc3C(F)(F)F)c[nH]c2c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 10/20 0.39
▸ CCNH P51946 10/20 0.39
▸ MNAT1 P51948 6/20 0.39
▸ CCNE1 P24864 17/20 0.39
▸ CDK2 P24941 17/20 0.39
▸ CCNK O75909 17/20 0.39
▸ CDK12 Q9NYV4 17/20 0.39
▸ CCNT1 O60563 16/20 0.39
▸ CDK9 P50750 16/20 0.39
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL25581442 0.91 CDK7 (0.39) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL25580838 0.90 CDK7 (0.45) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL25581352 0.87 CCNE1 (0.41) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL25581348 0.87 CCNK (0.39) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL25596598 0.86 CCNE1 (0.44) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL25581358 0.86 CCNE1 (0.38) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL25581350 0.85 CCNK (0.39) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL25581351 0.84 LCK (0.39) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL25581354 0.83 LCK (0.41) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL25583028 0.82 CCNE1 (0.38) CDK7CCNHMNAT1CCNE1CDK2

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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