SCHEMBL21178607

SCHEMBL21178607

C[C@H]1CC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4nc(-c5cnnn5C)ccc34)n2)CN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.48
▸ CDK12 Q9NYV4 17/20 0.48
▸ CCNE1 P24864 16/20 0.48
▸ CDK2 P24941 16/20 0.48
▸ CCNT1 O60563 13/20 0.48
▸ CDK9 P50750 13/20 0.48
▸ CDK7 P50613 12/20 0.46
▸ CCNH P51946 12/20 0.46
▸ MNAT1 P51948 10/20 0.45

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
SCHEMBL29509266 0.89 CCNE1 (0.43) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509256 0.89 CCNE1 (0.43) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178941 0.84 CCNK (0.67) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178838 0.84 CCNK (0.52) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178916 0.84 CCNK (0.47) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL29509267 0.84 CCNK (0.54) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178844 0.84 CCNK (0.54) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178652 0.84 CCNK (0.54) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL21178918 0.82 CDK7 (0.39) CCNKCDK12CCNE1CDK2CCNT1
SCHEMBL22076297 0.79 CCNK (0.54) 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
Send feedback