SCHEMBL21178916

SCHEMBL21178916

Cc1nsc(-c2ccc3c(-c4nc(N[C@@H]5CC[C@@H](C)N(C(=O)O)C5)ncc4C(F)(F)F)c[nH]c3n2)n1

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 18/20 0.47
▸ CDK2 P24941 18/20 0.47
▸ CCNT1 O60563 14/20 0.47
▸ CDK9 P50750 14/20 0.47
▸ CDK7 P50613 10/20 0.47
▸ CCNH P51946 10/20 0.47
▸ MNAT1 P51948 8/20 0.43

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
SCHEMBL29509274 0.89 CCNE1 (0.42) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509391 0.89 CCNE1 (0.42) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178838 0.85 CCNK (0.52) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178941 0.85 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21184335 0.84 CCNK (0.59) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178607 0.84 CCNK (0.48) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21179036 0.83 CCNK (0.55) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188591 0.83 CCNK (0.55) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188440 0.83 CCNK (0.55) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188148 0.80 CCNK (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740207-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 — — EP disclosed
WO-2019143719-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
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