SCHEMBL25596598

SCHEMBL25596598

CNc1ncc(C(F)(F)F)c(-c2c[nH]c3c(C(F)(F)F)c(NC(=O)OC)ccc23)n1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 17/20 0.44
▸ CDK2 P24941 17/20 0.44
▸ CCNK O75909 17/20 0.44
▸ CDK12 Q9NYV4 17/20 0.44
▸ CCNT1 O60563 16/20 0.44
▸ CDK9 P50750 16/20 0.44
▸ CDK7 P50613 10/20 0.41
▸ CCNH P51946 10/20 0.41
▸ MNAT1 P51948 7/20 0.41
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL25595093 0.90 CCNK (0.43) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25581352 0.90 CCNE1 (0.41) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25581305 0.89 CDK7 (0.45) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25583028 0.88 CCNE1 (0.38) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25581348 0.88 CCNK (0.39) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25583323 0.86 CDK7 (0.39) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25581350 0.86 CCNK (0.39) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25581358 0.86 CCNE1 (0.38) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25581351 0.85 LCK (0.39) CCNE1CDK2CCNKCDK12CCNT1
SCHEMBL25581306 0.84 PTK2 (0.46) CCNE1CDK2CCNKCDK12CCNT1

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
EP-4186895-A1 COMPOUND USEFUL AS CDK7 KINASE INHIBITOR AND USE THEREOF TYK Medicines Inc. (CN) 2023-05-31 — — EP disclosed
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