SCHEMBL25594908

SCHEMBL25594908

Cc1cc2c(-c3nc(NC4CCCNC4)ncc3C(F)(F)F)c[nH]c2cc1C#N

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 20/20 0.84
▸ CDK12 Q9NYV4 20/20 0.84
▸ CCNT1 O60563 17/20 0.84
▸ CCNE1 P24864 17/20 0.84
▸ CDK2 P24941 17/20 0.84
▸ CDK9 P50750 17/20 0.84
▸ CDK7 P50613 7/20 0.75
▸ CCNH P51946 7/20 0.75
▸ MNAT1 P51948 4/20 0.75

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
SCHEMBL24839786 0.91 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL29492550 0.86 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25605311 0.86 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24840739 0.86 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839438 0.85 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28948465 0.84 CCNK (0.95) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30006229 0.84 CCNK (0.95) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28948470 0.84 CCNK (0.95) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839642 0.83 CCNK (1.00) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24839829 0.82 CCNK (1.00) 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-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
Send feedback