SCHEMBL29492529

SCHEMBL29492529

NC1C[C@@H]2CC(Nc3ncc(C(F)(F)F)c(-c4c[nH]c5c(Br)cccc45)n3)C[C@@H]2C1

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 19/20 0.69
▸ CCNK O75909 19/20 0.69
▸ CDK9 P50750 19/20 0.69
▸ CDK12 Q9NYV4 19/20 0.69
▸ CDK7 P50613 7/20 0.69
▸ CCNH P51946 7/20 0.69
▸ MNAT1 P51948 5/20 0.69
▸ CCNE1 P24864 16/20 0.55
▸ CDK2 P24941 16/20 0.55

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 0.88 CCNT1 (0.74) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL29498455 0.88 CCNT1 (0.74) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL29492532 0.85 CCNT1 (0.71) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL24840734 0.81 CCNT1 (1.00) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL29498415 0.80 CCNT1 (0.70) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL29498442 0.77 CCNK (0.69) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL29498434 0.77 CCNT1 (0.62) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL29492522 0.77 CDK7 (0.71) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL24588064 0.75 CCNK (0.73) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL30260790 0.75 CCNT1 (0.75) 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
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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