SCHEMBL29498461

SCHEMBL29498461

CP(C)(=O)c1cccc2c(-c3nc(N[C@H]4CCC[C@@H](N)C4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 17/20 0.76
▸ CDK12 Q9NYV4 17/20 0.76
▸ CCNT1 O60563 16/20 0.76
▸ CDK9 P50750 16/20 0.76
▸ CCNE1 P24864 13/20 0.76
▸ CDK2 P24941 13/20 0.76
▸ CDK7 P50613 9/20 0.76
▸ CCNH P51946 9/20 0.76
▸ MNAT1 P51948 7/20 0.62

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
SCHEMBL29492528 1.00 CCNK (0.76) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29492546 1.00 CCNK (0.76) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24588064 0.95 CCNK (0.73) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29498413 0.91 CCNK (0.77) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24588204 0.91 CCNK (0.84) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29492532 0.89 CCNT1 (0.71) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24588842 0.87 CCNT1 (0.73) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24588157 0.86 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22115127 0.86 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25599168 0.86 CCNK (1.00) 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-2022063212-A1 PYRIMIDYL DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 广州费米子科技有限责任公司 2022-03-31 — — WO disclosed
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