SCHEMBL25595070

SCHEMBL25595070

CNSc1ccc2c(-c3nc(Cl)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.47
▸ CDK12 Q9NYV4 18/20 0.47
▸ CCNE1 P24864 15/20 0.47
▸ CDK2 P24941 15/20 0.47
▸ CCNT1 O60563 13/20 0.47
▸ CDK9 P50750 13/20 0.47
▸ CDK7 P50613 10/20 0.41
▸ CCNH P51946 10/20 0.41
▸ MNAT1 P51948 8/20 0.41

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
SCHEMBL25594977 0.88 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30439646 0.85 CCNK (0.51) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25600254 0.85 CCNK (0.51) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30554768 0.82 CCNK (0.44) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21629046 0.82 CCNK (0.44) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24900493 0.81 TDO2 (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30957590 0.81 TDO2 (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178668 0.80 CLK1 (0.50) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21184587 0.80 CCNK (0.42) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30260854 0.80 CLK1 (0.50) 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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