SCHEMBL25581463

SCHEMBL25581463

COC(=O)Nc1ccc2c(-c3nc(NCCCCN(C)C)ncc3C(F)(F)F)c[nH]c2c1C(C)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 1/20 0.40
▸ CCNK O75909 15/20 0.39
▸ CDK12 Q9NYV4 15/20 0.39
▸ CCNE1 P24864 14/20 0.39
▸ CDK2 P24941 14/20 0.39
▸ CCNT1 O60563 12/20 0.39
▸ CDK9 P50750 12/20 0.39
▸ CDK7 P50613 10/20 0.38
▸ CCNH P51946 10/20 0.38
▸ MNAT1 P51948 6/20 0.38

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
SCHEMBL25581354 0.95 LCK (0.41) LCKCCNKCDK12CCNE1CDK2
SCHEMBL25583393 0.94 LCK (0.40) LCKCCNKCDK12CCNE1CDK2
SCHEMBL25581351 0.93 LCK (0.39) LCKCCNKCDK12CCNE1CDK2
SCHEMBL25581350 0.91 CCNK (0.39) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25581443 0.90 LCK (0.41) LCKCCNKCDK12CCNE1CDK2
SCHEMBL25581286 0.89 LCK (0.47) LCKCCNKCDK12CCNE1CDK2
SCHEMBL25580806 0.86 JAK1 (0.45) LCKCCNKCDK12CCNE1CDK2
SCHEMBL25580809 0.84 JAK1 (0.46) LCKCCNKCDK12CCNE1CDK2
SCHEMBL25581352 0.83 CCNE1 (0.41) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25581348 0.83 CCNK (0.39) CCNKCDK12CCNE1CDK2CCNT1

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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