SCHEMBL30006623

SCHEMBL30006623

CP(C)(=O)c1c(C#N)ccc2c(-c3nc(N[C@H]4CCCCNC4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.77
▸ CDK12 Q9NYV4 17/20 0.77
▸ CCNT1 O60563 15/20 0.77
▸ CCNE1 P24864 15/20 0.77
▸ CDK2 P24941 15/20 0.77
▸ CDK9 P50750 15/20 0.77
▸ CDK7 P50613 12/20 0.76
▸ CCNH P51946 12/20 0.76
▸ MNAT1 P51948 7/20 0.76
▸ CYP2D6 P10635 1/20 0.76

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
SCHEMBL28817251 1.00 CCNK (0.77) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817252 1.00 CCNK (0.77) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24588249 0.98 CCNK (0.80) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30006554 0.95 CCNK (0.79) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL28817277 0.95 CCNK (0.79) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL25593609 0.95 CCNK (0.79) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL21184374 0.93 CCNK (0.78) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL30260734 0.92 CCNK (0.71) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL24589005 0.87 CCNK (0.72) CCNKCDK12CCNT1CCNE1CDK2
SCHEMBL22076292 0.87 CCNK (0.77) CCNKCDK12CCNT1CCNE1CDK2

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
WO-2023040998-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-23 — — WO disclosed
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