SCHEMBL21178258

SCHEMBL21178258

C[Si](C)(C)CCOC(Br)c1ccc2c(-c3nc(NC4CC(O)CN(Cc5ccccc5)C4)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.51
▸ CDK12 Q9NYV4 18/20 0.51
▸ CCNE1 P24864 13/20 0.51
▸ CDK2 P24941 13/20 0.51
▸ CCNT1 O60563 11/20 0.51
▸ CDK9 P50750 11/20 0.51
▸ CDK7 P50613 12/20 0.49
▸ CCNH P51946 12/20 0.49
▸ MNAT1 P51948 12/20 0.49

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
SCHEMBL21178456 0.89 CDK7 (0.57) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178204 0.89 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188044 0.84 CCNK (0.58) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25601817 0.81 CCNK (0.71) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30204457 0.81 CCNK (0.71) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30439772 0.81 CCNK (0.71) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL25601803 0.81 CCNK (0.71) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24087437 0.80 CCNK (0.64) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178522 0.78 CDK7 (0.53) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21188383 0.77 CDK7 (0.42) 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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