SCHEMBL25604263

SCHEMBL25604263

Cc1ncc(C(F)(F)F)c(-c2c[nH]c3cc(-n4ccnc4)ccc23)n1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 15/20 0.62
▸ CDK12 Q9NYV4 15/20 0.62
▸ CCNE1 P24864 12/20 0.62
▸ CDK2 P24941 12/20 0.62
▸ CCNT1 O60563 11/20 0.62
▸ CDK9 P50750 11/20 0.62
▸ CDK7 P50613 7/20 0.44
▸ CCNH P51946 7/20 0.44
▸ MNAT1 P51948 6/20 0.44
▸ TBXAS1 P24557 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
SCHEMBL25597327 0.88 CCNK (0.62) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24840705 0.81 CCNK (0.63) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839544 0.78 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25603912 0.76 CCNE1 (0.60) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839369 0.75 CDK7 (0.55) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25438540 0.75 CCNK (0.73) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839623 0.74 CCNK (0.65) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25603751 0.74 CCNK (0.61) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21184621 0.73 CCNK (0.63) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL26043639 0.72 CCNK (0.52) 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
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
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