SCHEMBL29498442

SCHEMBL29498442

O=C(O)N1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(Br)cccc34)n2)C1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.69
▸ CCNT1 O60563 18/20 0.69
▸ CDK9 P50750 18/20 0.69
▸ CDK12 Q9NYV4 18/20 0.69
▸ CDK7 P50613 6/20 0.69
▸ CCNH P51946 6/20 0.69
▸ MNAT1 P51948 4/20 0.69
▸ CDK2 P24941 16/20 0.57
▸ CCNE1 P24864 15/20 0.57
▸ CCNA2 P20248 1/20 0.53
▸ CDK13 Q14004 1/20 0.53

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
SCHEMBL29498437 0.91 CCNK (0.57) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL29492509 0.90 CCNK (0.63) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL27121866 0.90 CCNK (0.63) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL25593261 0.90 CCNK (0.63) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL21178818 0.87 CCNK (0.57) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL29498434 0.86 CCNT1 (0.62) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL29498417 0.85 CCNK (0.54) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL29498415 0.85 CCNT1 (0.70) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL21178843 0.84 CCNK (0.59) CCNKCCNT1CDK9CDK12CDK7
SCHEMBL29498465 0.84 CDK7 (0.54) CCNKCCNT1CDK9CDK12CDK7

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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