SCHEMBL30261019

SCHEMBL30261019

COc1ccc2c(-c3nc(N[C@H]4CCCCNC4)ncc3C(F)(F)F)c[nH]c2c1OC

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 19/20 0.68
▸ CCNK O75909 19/20 0.68
▸ CDK9 P50750 19/20 0.68
▸ CDK12 Q9NYV4 19/20 0.68
▸ CCNE1 P24864 16/20 0.68
▸ CDK2 P24941 16/20 0.68
▸ CDK7 P50613 8/20 0.65
▸ CCNH P51946 8/20 0.65
▸ MNAT1 P51948 5/20 0.65

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
SCHEMBL30260850 0.91 CCNT1 (0.69) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30260922 0.89 CCNT1 (0.76) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30260993 0.88 CCNK (0.70) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25582726 0.87 CCNT1 (0.80) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25581060 0.85 CCNT1 (0.65) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25591581 0.85 CCNT1 (0.65) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25595688 0.85 CCNT1 (0.65) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30260930 0.84 CCNT1 (0.70) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL30260953 0.84 CCNT1 (0.75) CCNT1CCNKCDK9CDK12CCNE1
SCHEMBL25592969 0.83 CCNT1 (0.63) CCNT1CCNKCDK9CDK12CCNE1

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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