SCHEMBL29498455

SCHEMBL29498455

N[C@H]1CCC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(Br)cccc34)n2)C1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.74
▸ CCNK O75909 20/20 0.74
▸ CDK9 P50750 20/20 0.74
▸ CDK12 Q9NYV4 20/20 0.74
▸ CDK7 P50613 6/20 0.74
▸ CCNH P51946 6/20 0.74
▸ MNAT1 P51948 4/20 0.74
▸ CCNE1 P24864 17/20 0.60
▸ CDK2 P24941 17/20 0.60

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
SCHEMBL29492556 1.00 CCNT1 (0.74) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL29492529 0.88 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL30260790 0.87 CCNT1 (0.75) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL29498415 0.87 CCNT1 (0.70) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL29498461 0.86 CCNK (0.76) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL29492528 0.86 CCNK (0.76) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL29492546 0.86 CCNK (0.76) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL17150448 0.86 CCNK (0.73) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL24840734 0.85 CCNT1 (1.00) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL29492549 0.84 CCNK (0.63) CCNT1CCNKCDK9CDK12CDK7

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
Send feedback