SCHEMBL21178888

SCHEMBL21178888

Cc1noc(C)c1-c1ccc2c(-c3nc(NC4CC5CCC4N5C(=O)OC(C)(C)C)ncc3C(F)(F)F)c[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 20/20 0.60
▸ CDK12 Q9NYV4 20/20 0.60
▸ CCNE1 P24864 18/20 0.60
▸ CDK2 P24941 18/20 0.60
▸ CCNT1 O60563 17/20 0.60
▸ CDK9 P50750 17/20 0.60
▸ CDK7 P50613 7/20 0.60
▸ CCNH P51946 7/20 0.60
▸ MNAT1 P51948 4/20 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
SCHEMBL30771952 1.00 CCNK (0.60) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL30771919 1.00 CCNK (0.60) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL27163742 0.92 CCNK (0.63) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24176246 0.88 CCNK (0.68) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24176250 0.86 CCNK (0.66) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24176608 0.86 CCNK (0.66) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21184402 0.86 CCNK (0.66) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24087465 0.85 CCNK (0.60) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509301 0.85 CCNK (0.60) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL24176231 0.84 CCNK (0.61) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740206-B1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS INC (US) 2024-03-06 — — EP disclosed
EP-3740206-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) Syros Pharmaceuticals, Inc. (US) 2020-11-25 — — EP disclosed
WO-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
Send feedback