SCHEMBL25220912

SCHEMBL25220912

Cc1nc(-c2ccc3c(-c4nc(N[C@H]5CCCNC5)ncc4C(F)(F)F)c[nH]c3c2)nn1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 1.00
▸ CDK12 Q9NYV4 18/20 1.00
▸ CCNE1 P24864 14/20 1.00
▸ CDK2 P24941 14/20 1.00
▸ CCNT1 O60563 13/20 0.80
▸ CDK9 P50750 13/20 0.80
▸ CDK7 P50613 6/20 0.74
▸ CCNH P51946 6/20 0.74
▸ MNAT1 P51948 5/20 0.74

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
SCHEMBL30204012 1.00 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839853 0.89 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839776 0.87 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204111 0.87 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839817 0.87 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204478 0.87 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178371 0.87 CCNK (0.78) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188579 0.87 CCNK (0.77) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24839780 0.87 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178524 0.86 CCNK (0.79) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4295852-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2023-12-27 — — EP disclosed
EP-3484871-B1 PIPERIDINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2023-06-07 — — EP disclosed
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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