SCHEMBL26044163

SCHEMBL26044163

CP(C)(=O)c1c(C(=O)O)ccc2c(-c3nc(NC4CCCCC4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.59
▸ CDK12 Q9NYV4 18/20 0.59
▸ CCNT1 O60563 17/20 0.59
▸ CDK9 P50750 17/20 0.59
▸ CCNE1 P24864 16/20 0.59
▸ CDK2 P24941 16/20 0.59
▸ CDK7 P50613 9/20 0.59
▸ CCNH P51946 9/20 0.59
▸ MNAT1 P51948 6/20 0.58
▸ CYP2D6 P10635 1/20 0.58

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
SCHEMBL25364596 0.89 CCNK (0.55) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26044271 0.88 CCNK (0.55) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26045217 0.87 CCNK (0.53) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26044166 0.87 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL31220662 0.86 CCNK (0.50) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25363464 0.86 CCNK (0.50) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26042950 0.85 CCNK (0.52) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL21184558 0.85 CCNK (0.60) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25363261 0.85 CCNK (0.50) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL31220678 0.85 CCNK (0.50) 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-2023116761-A1 PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 英矽智能科技知识产权有限公司 2023-06-29 — — WO disclosed
Send feedback