SCHEMBL28817264

SCHEMBL28817264

CP(C)(=O)c1c(C#N)ccc2c(-c3nc(NC4CCN(C(=O)O)C4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 14/20 0.69
▸ CDK12 Q9NYV4 14/20 0.69
▸ CDK2 P24941 13/20 0.69
▸ CCNT1 O60563 12/20 0.69
▸ CCNE1 P24864 12/20 0.69
▸ CDK9 P50750 12/20 0.69
▸ CDK7 P50613 12/20 0.69
▸ CCNH P51946 12/20 0.69
▸ MNAT1 P51948 9/20 0.69
▸ CYP2D6 P10635 1/20 0.69
▸ MAP2K5 Q13163 1/20 0.46
▸ JUN P05412 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46

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
SCHEMBL28817255 1.00 CCNK (0.69) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL28817285 0.95 CCNK (0.66) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL28817289 0.95 CCNK (0.66) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL22076259 0.89 CCNK (0.67) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL28817295 0.88 CCNK (0.56) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL28817292 0.88 CCNK (0.56) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL29498433 0.88 CCNK (0.70) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL29498444 0.88 CCNK (0.70) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL24588151 0.87 CCNK (0.63) CCNKCDK12CDK2CCNT1CCNE1
SCHEMBL29498435 0.87 CCNK (0.69) CCNKCDK12CDK2CCNT1CCNE1

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
CN-114907407-A Inhibitors of cyclin dependent kinase 7(CDK7) 江苏先声药业有限公司 2022-08-16 — — CN disclosed
Send feedback