SCHEMBL25580543

SCHEMBL25580543

O=C(Oc1cccc2c(-c3nc(N[C@H]4CCCNC4)ncc3C(F)(F)F)c[nH]c12)N1CC[C@@H](O)C1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 19/20 0.67
▸ CDK12 Q9NYV4 19/20 0.67
▸ CCNT1 O60563 17/20 0.66
▸ CDK9 P50750 17/20 0.66
▸ CCNE1 P24864 14/20 0.66
▸ CDK2 P24941 14/20 0.66
▸ CDK7 P50613 6/20 0.64
▸ CCNH P51946 6/20 0.64
▸ MNAT1 P51948 4/20 0.64

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
SCHEMBL25580535 0.92 CCNK (0.69) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25580539 0.92 CCNK (0.68) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25580549 0.90 CCNT1 (0.65) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25580530 0.85 CCNT1 (0.77) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25580533 0.85 CCNT1 (0.72) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL25582726 0.82 CCNT1 (0.80) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL30260922 0.80 CCNT1 (0.76) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24840706 0.80 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24839542 0.80 CCNK (1.00) CCNKCDK12CCNT1CDK9CCNE1
SCHEMBL24840701 0.80 CCNT1 (1.00) 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-2023078451-A1 COMPOUND USED AS CDK7 KINASE INHIBITOR AND USE THEREOF 浙江同源康医药股份有限公司 2023-05-11 — — WO disclosed
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