SCHEMBL25581350

SCHEMBL25581350

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 12/20 0.39
▸ CDK12 Q9NYV4 12/20 0.39
▸ CCNT1 O60563 11/20 0.39
▸ CCNE1 P24864 11/20 0.39
▸ CDK2 P24941 11/20 0.39
▸ CDK9 P50750 11/20 0.39
▸ CDK7 P50613 6/20 0.38
▸ CCNH P51946 6/20 0.38
▸ BRAF P15056 3/20 0.38
▸ MNAT1 P51948 3/20 0.38
▸ JAK1 P23458 1/20 0.36
▸ EGFR P00533 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
SCHEMBL25581351 0.95 LCK (0.39) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25581354 0.94 LCK (0.41) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25581463 0.91 LCK (0.40) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25583393 0.91 LCK (0.40) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25580809 0.90 JAK1 (0.46) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25581352 0.90 CCNE1 (0.41) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25581348 0.90 CCNK (0.39) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25583171 0.87 CCNT1 (0.40) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25581443 0.87 LCK (0.41) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25596598 0.86 CCNE1 (0.44) CCNKCDK12CCNT1CCNE1CDK2

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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