SCHEMBL21178250

SCHEMBL21178250

C[Si](C)(C)CCOC(Br)c1ccc2c(-c3nc(N[C@H]4CCCN(C(=O)O)C4)ncc3C(F)(F)F)n[nH]c2c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.43
▸ CDK12 Q9NYV4 17/20 0.43
▸ CDK2 P24941 13/20 0.43
▸ CCNE1 P24864 12/20 0.43
▸ CCNT1 O60563 10/20 0.43
▸ CDK9 P50750 10/20 0.43
▸ CDK7 P50613 9/20 0.41
▸ CCNH P51946 9/20 0.41
▸ MNAT1 P51948 9/20 0.41
▸ CCNA2 P20248 1/20 0.39
▸ CDK13 Q14004 1/20 0.39
▸ MAPK3 P27361 1/20 0.39

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
SCHEMBL21178186 0.88 CCNK (0.42) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178469 0.80 CCNK (0.56) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178458 0.79 CCNK (0.52) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL26967451 0.73 CDK7 (0.44) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL29498439 0.72 CDK7 (0.42) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL21178244 0.72 CCNK (0.45) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL26967517 0.72 CDK7 (0.43) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25269280 0.72 CDK2 (0.47) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL25223856 0.72 CCNK (0.57) CCNKCDK12CDK2CCNE1CCNT1
SCHEMBL26967465 0.72 CCNK (0.53) CCNKCDK12CDK2CCNE1CCNT1

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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