SCHEMBL29492532

SCHEMBL29492532

CP(C)(=O)c1cccc2c(-c3nc(NC4C[C@H]5CC(N)C[C@H]5C4)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 16/20 0.71
▸ CCNK O75909 16/20 0.71
▸ CDK9 P50750 16/20 0.71
▸ CDK12 Q9NYV4 16/20 0.71
▸ CCNE1 P24864 13/20 0.71
▸ CDK2 P24941 13/20 0.71
▸ CDK7 P50613 11/20 0.71
▸ CCNH P51946 11/20 0.71
▸ MNAT1 P51948 8/20 0.58
▸ CYP2D6 P10635 1/20 0.49

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
SCHEMBL24588064 0.90 CCNK (0.73) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29492546 0.89 CCNK (0.76) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29498461 0.89 CCNK (0.76) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29492528 0.89 CCNK (0.76) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588204 0.87 CCNK (0.84) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30685928 0.87 CCNK (0.84) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29492529 0.85 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL24588842 0.85 CCNT1 (0.73) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29492544 0.85 CCNT1 (0.73) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL29498413 0.85 CCNK (0.77) 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-114249712-A Pyrimidinyl derivatives, method for the production thereof and use thereof 广州费米子科技有限责任公司 2022-03-29 — — CN disclosed
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