SCHEMBL25597904

SCHEMBL25597904

CNc1ncc(C(F)(F)F)c(-c2c[nH]c3c(P(C)C)c(C#N)ccc23)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.53
▸ CDK12 Q9NYV4 19/20 0.53
▸ CCNT1 O60563 12/20 0.53
▸ CCNE1 P24864 12/20 0.53
▸ CDK2 P24941 12/20 0.53
▸ CDK9 P50750 12/20 0.53
▸ CDK7 P50613 12/20 0.51
▸ CCNH P51946 12/20 0.51
▸ MNAT1 P51948 9/20 0.51
▸ CYP2D6 P10635 1/20 0.51

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
SCHEMBL21184439 0.87 CCNK (0.67) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24588195 0.87 CCNK (0.48) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24589006 0.86 CCNK (0.46) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25581479 0.84 CCNK (0.46) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25597569 0.83 CCNK (0.77) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24308505 0.83 CCNK (0.61) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24308299 0.81 CCNK (0.77) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24588198 0.79 CCNT1 (0.51) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24589060 0.74 CCNT1 (0.41) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25594546 0.73 CCNT1 (0.69) 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
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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