SCHEMBL30685928

SCHEMBL30685928

CP(C)(=O)c1cccc2c(-c3nc(NC4CNC4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.84
▸ CDK12 Q9NYV4 18/20 0.84
▸ CCNT1 O60563 17/20 0.84
▸ CDK9 P50750 17/20 0.84
▸ CCNE1 P24864 14/20 0.84
▸ CDK2 P24941 14/20 0.84
▸ CDK7 P50613 9/20 0.84
▸ CCNH P51946 9/20 0.84
▸ MNAT1 P51948 6/20 0.69

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
SCHEMBL25599168 0.92 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24588157 0.92 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22115127 0.92 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24588204 0.91 CCNK (0.84) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29492544 0.89 CCNT1 (0.73) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24588842 0.87 CCNT1 (0.73) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24588064 0.87 CCNK (0.73) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29492532 0.87 CCNT1 (0.71) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29498413 0.87 CCNK (0.77) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL26627022 0.87 CCNT1 (0.72) 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
CN-117447520-A Benzo ring substituted pyrimidine compound and application thereof 广州利弗克医药科技有限公司 2024-01-26 — — CN disclosed
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