SCHEMBL21178418

SCHEMBL21178418

Cc1nnc(-c2ccc3c(-c4nc(N[C@H]5CC[C@H](C)N(C(=O)OCc6ccccc6)C5)ncc4C(F)(F)F)c[nH]c3n2)s1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.44
▸ CDK12 Q9NYV4 18/20 0.44
▸ CCNE1 P24864 17/20 0.44
▸ CDK2 P24941 17/20 0.44
▸ CCNT1 O60563 16/20 0.44
▸ CDK9 P50750 16/20 0.44
▸ CDK7 P50613 9/20 0.44
▸ CCNH P51946 9/20 0.44
▸ MNAT1 P51948 7/20 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
SCHEMBL29509196 1.00 CCNK (0.44) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509274 0.90 CCNE1 (0.42) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509391 0.90 CCNE1 (0.42) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509201 0.87 CCNE1 (0.59) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178565 0.87 CCNK (0.48) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509097 0.87 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509153 0.87 CCNK (0.48) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509133 0.87 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509256 0.86 CCNE1 (0.43) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509266 0.86 CCNE1 (0.43) 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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