SCHEMBL30359889

SCHEMBL30359889

C[C@H]1CC[C@H](Nc2ncc(C(F)(F)F)c(-c3c[nH]c4c(Br)c(C#N)ccc34)n2)CN1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 18/20 0.48
▸ CDK12 Q9NYV4 18/20 0.48
▸ CCNT1 O60563 15/20 0.48
▸ CDK9 P50750 15/20 0.48
▸ CCNE1 P24864 15/20 0.48
▸ CDK2 P24941 15/20 0.48
▸ CDK7 P50613 11/20 0.48
▸ CCNH P51946 11/20 0.48
▸ MNAT1 P51948 9/20 0.48
▸ CYP2D6 P10635 1/20 0.48

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
SCHEMBL28648429 0.93 CCNK (0.48) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29583835 0.93 CCNK (0.48) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22076291 0.92 CCNK (0.60) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29584307 0.92 CCNK (0.60) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30359979 0.91 CDK2 (0.46) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30359967 0.89 CCNK (0.47) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29492511 0.87 CCNK (0.51) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL22076297 0.81 CCNK (0.54) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29509256 0.81 CCNE1 (0.43) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL29509266 0.81 CCNE1 (0.43) CCNKCDK12CCNT1CDK9CCNE1

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-2023049691-A1 CDK7 INHIBITORS AND METHODS OF TREATING CANCER ZENO MANAGEMENT, INC. (US) 2023-03-30 — — WO disclosed
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