SCHEMBL25329327

SCHEMBL25329327

FC(F)(F)c1cnc(NC2CCNC2)nc1-c1c[nH]c2ccccc12

nearest known ligand 0.89

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 14/20 0.89
CCNH P51946 14/20 0.89
CCNK O75909 14/20 0.89
CDK12 Q9NYV4 14/20 0.89
CCNE1 P24864 14/20 0.89
CDK2 P24941 14/20 0.89
CCNT1 O60563 12/20 0.89
CDK9 P50750 12/20 0.89
MNAT1 P51948 12/20 0.89

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
SCHEMBL25329325 1.00 CDK7 (0.89) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24839343 0.94 CCNK (1.00) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL29498427 0.94 CCNK (1.00) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL30260874 0.93 CCNK (0.94) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL25327884 0.87 CCNT1 (0.69) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL25327879 0.87 CCNT1 (0.69) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL30524024 0.87 CCNT1 (0.69) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24839872 0.87 CDK7 (1.00) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24839878 0.87 CDK7 (1.00) CDK7CCNHCCNKCDK12CCNE1
SCHEMBL24839707 0.87 CDK7 (1.00) CDK7CCNHCCNKCDK12CCNE1

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-2023143482-A1 2-AMINOPYRIMIDINE COMPOUND OR SALT, PREPARATION METHOD THEREFOR AND USE THEREOF 上海辉启生物医药科技有限公司 2023-08-03 WO disclosed