SCHEMBL25604070

SCHEMBL25604070

FC(F)(F)c1cnc(NC2CNCc3ccccc32)nc1-c1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 16/20 1.00
▸ CCNH P51946 16/20 1.00
▸ MNAT1 P51948 14/20 1.00
▸ CCNE1 P24864 13/20 1.00
▸ CDK2 P24941 13/20 1.00
▸ CCNK O75909 12/20 0.65
▸ CDK12 Q9NYV4 12/20 0.65
▸ CCNT1 O60563 10/20 0.65
▸ CDK9 P50750 10/20 0.65

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
SCHEMBL24839814 1.00 CDK7 (1.00) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL24839809 1.00 CDK7 (1.00) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL25581303 0.82 CCNE1 (0.69) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL25329327 0.80 CDK7 (0.89) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL25329325 0.80 CDK7 (0.89) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL29498427 0.79 CCNK (1.00) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL24839343 0.79 CCNK (1.00) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL30260874 0.78 CCNK (0.94) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL24839794 0.78 CCNK (1.00) CDK7CCNHMNAT1CCNE1CDK2
SCHEMBL24839707 0.77 CDK7 (1.00) CDK7CCNHMNAT1CCNE1CDK2

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