SCHEMBL29492545

SCHEMBL29492545

CP(C)(=O)c1c(C#N)ccc2c(-c3nc(NC4C[C@H]5CC[C@@H](C4)N5)ncc3C(F)(F)F)c[nH]c12

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 14/20 0.74
▸ CDK12 Q9NYV4 14/20 0.74
▸ CDK7 P50613 14/20 0.74
▸ CCNH P51946 14/20 0.74
▸ CCNT1 O60563 13/20 0.74
▸ CCNE1 P24864 13/20 0.74
▸ CDK2 P24941 13/20 0.74
▸ CDK9 P50750 13/20 0.74
▸ MNAT1 P51948 9/20 0.74
▸ CYP2D6 P10635 1/20 0.74
▸ MAP2K5 Q13163 1/20 0.51

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
SCHEMBL21184374 0.91 CCNK (0.78) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL29492522 0.89 CDK7 (0.71) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL24588258 0.89 CDK7 (0.73) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL30006346 0.88 CDK7 (0.75) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL28817270 0.88 CDK7 (0.75) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL24589005 0.88 CCNK (0.72) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL30006554 0.88 CCNK (0.79) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL25593609 0.88 CCNK (0.79) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL28817277 0.88 CCNK (0.79) CCNKCDK12CDK7CCNHCCNT1
SCHEMBL24588864 0.88 CCNK (0.69) CCNKCDK12CDK7CCNHCCNT1

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 2 patents. 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
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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