SCHEMBL29283738

SCHEMBL29283738

FC(F)(F)c1cnc(NC2CCCNC2)nc1-c1c[nH]c2ncccc12

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.78
▸ CCNK O75909 20/20 0.78
▸ CDK9 P50750 20/20 0.78
▸ CDK12 Q9NYV4 20/20 0.78
▸ CCNE1 P24864 18/20 0.78
▸ CDK2 P24941 18/20 0.78
▸ CDK7 P50613 5/20 0.78
▸ CCNH P51946 5/20 0.78
▸ MNAT1 P51948 3/20 0.78

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
SCHEMBL29283736 1.00 CCNT1 (0.78) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29749340 1.00 CCNT1 (0.78) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25327879 0.94 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25327884 0.94 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30524024 0.94 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL31666586 0.89 CCNT1 (0.76) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL31666762 0.89 CCNT1 (0.76) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24839343 0.88 CCNK (1.00) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29498427 0.88 CCNK (1.00) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL31666555 0.87 CCNK (0.81) CCNT1CCNKCDK9CDK12CCNE1

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-118176189-A Pyrimidine derivative, preparation method and application thereof 成都苑东生物制药股份有限公司 2024-06-11 — — CN disclosed
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