SCHEMBL29364048

SCHEMBL29364048

COc1nc(-c2c[nH]c3c(C#N)cccc23)cnc1NC1CCNC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 13/20 0.51
▸ CCNK O75909 13/20 0.51
▸ CCNE1 P24864 13/20 0.51
▸ CDK2 P24941 13/20 0.51
▸ CDK9 P50750 13/20 0.51
▸ CDK12 Q9NYV4 13/20 0.51
▸ NRAS P01111 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ NFATC1 O95644 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ DYRK1A Q13627 1/20 0.43
▸ CDK7 P50613 9/20 0.42
▸ CCNH P51946 9/20 0.42
▸ MNAT1 P51948 7/20 0.42

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
SCHEMBL25028686 1.00 CCNT1 (0.51) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25027643 1.00 CCNT1 (0.51) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25028688 0.92 CCNT1 (0.50) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25028884 0.89 CCNK (0.51) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL29364484 0.89 CCNK (0.51) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL29361385 0.89 CCNT1 (0.53) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25028778 0.89 CCNT1 (0.53) CCNT1CCNKCCNE1CDK2CDK9
Formic Acid SCHEMBL29005614 0.87 CCNT1 (0.47) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25027665 0.83 CCNT1 (0.60) CCNT1CCNKCCNE1CDK2CDK9
SCHEMBL25027641 0.83 CCNT1 (0.47) CCNT1CCNKCCNE1CDK2CDK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4182320-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS Nido Biosciences, Inc. (US) 2023-05-24 — — EP disclosed
WO-2022020342-A1 INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS NIDO BIOSCIENCES, INC. (US) 2022-01-27 — — WO disclosed
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