SCHEMBL30260911

SCHEMBL30260911

O=C(O)c1ccc2c(-c3nc(N[C@H]4CCCCNC4)ncc3C(F)(F)F)c[nH]c2c1Br

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 20/20 0.68
▸ CCNK O75909 20/20 0.68
▸ CDK9 P50750 20/20 0.68
▸ CDK12 Q9NYV4 20/20 0.68
▸ CDK7 P50613 7/20 0.68
▸ CCNH P51946 7/20 0.68
▸ MNAT1 P51948 4/20 0.68
▸ CCNE1 P24864 18/20 0.67
▸ CDK2 P24941 18/20 0.67

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
SCHEMBL30260859 0.92 CCNT1 (0.66) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL30260850 0.85 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25591349 0.85 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL30260893 0.85 CCNK (0.65) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25594415 0.85 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25591347 0.85 CCNT1 (0.76) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25591348 0.84 CCNT1 (0.68) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL25594341 0.84 CCNT1 (0.68) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL30260953 0.84 CCNT1 (0.75) CCNT1CCNKCDK9CDK12CDK7
SCHEMBL30260886 0.84 CCNT1 (0.77) 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-2023040998-A1 A CYCLIN-DEPENDENT KINASE INHIBITOR Taizhou Eoc Pharma Co., Ltd. (CN) 2023-03-23 — — WO disclosed
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