SCHEMBL21188507

SCHEMBL21188507

Cc1noc(C)c1-c1ccc2c(-c3nc(NC4CCCNC4)ncc3C(F)(F)F)c[nH]c2c1

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 16/20 1.00
▸ CDK2 P24941 16/20 1.00
▸ CCNT1 O60563 15/20 1.00
▸ CDK9 P50750 15/20 1.00
▸ CDK7 P50613 7/20 1.00
▸ CCNH P51946 7/20 1.00
▸ MNAT1 P51948 4/20 0.72

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
SCHEMBL21188311 1.00 CCNK (1.00) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30260913 0.98 CCNK (0.96) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21184404 0.92 CCNK (0.85) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178528 0.89 CCNK (0.80) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178531 0.89 CCNK (0.80) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178400 0.88 CCNK (0.79) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21179236 0.88 CCNK (0.79) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178524 0.88 CCNK (0.79) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21179234 0.88 CCNK (0.79) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178595 0.88 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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