SCHEMBL21184558

SCHEMBL21184558

CP(C)(=O)c1c(C=O)ccc2c(-c3nc(NC4CCCC4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.60
▸ CDK12 Q9NYV4 18/20 0.60
▸ CCNT1 O60563 17/20 0.60
▸ CDK9 P50750 17/20 0.60
▸ CCNE1 P24864 15/20 0.60
▸ CDK2 P24941 15/20 0.60
▸ CDK7 P50613 10/20 0.60
▸ CCNH P51946 10/20 0.60
▸ MNAT1 P51948 6/20 0.59
▸ CYP2D6 P10635 1/20 0.59

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
SCHEMBL21184374 0.86 CCNK (0.78) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26044163 0.85 CCNK (0.59) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26043152 0.85 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26043167 0.84 CCNK (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26043158 0.84 CCNK (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26043174 0.83 CCNK (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24588204 0.83 CCNK (0.84) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26044271 0.81 CCNK (0.55) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26043150 0.81 CCNK (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30260993 0.80 CCNK (0.70) CCNKCDK12CCNT1CDK9CCNE1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019143730-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASE 7 (CDK7) SYROS PHARMACEUTICALS, INC. (US) 2019-07-25 — — WO disclosed
Send feedback