SCHEMBL29363471

SCHEMBL29363471

Cc1nc(-c2c[nH]c3c(C#N)cccc23)ccc1NC1CCOC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.47
▸ DYRK1A Q13627 3/20 0.47
▸ NFATC1 O95644 1/20 0.47
▸ PDE1B Q01064 2/20 0.43
▸ PDE1A P54750 1/20 0.43
▸ PDE1C Q14123 1/20 0.43
▸ CDK2 P24941 2/20 0.40
▸ CDK9 P50750 2/20 0.40
▸ CCNT1 O60563 1/20 0.40
▸ CCNK O75909 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ CDK12 Q9NYV4 1/20 0.40
▸ RET P07949 1/20 0.39
▸ TTK P33981 1/20 0.38
▸ SLC6A4 P31645 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ PIM1 P11309 2/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ CDC7 O00311 2/20 0.35
▸ DAPK3 O43293 1/20 0.35

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
SCHEMBL25027526 1.00 GSK3B (0.47) GSK3BDYRK1ANFATC1PDE1BPDE1A
SCHEMBL25028765 0.83 CCNT1 (0.52) GSK3BDYRK1ANFATC1CDK2CDK9
SCHEMBL26715948 0.81 PDE1B (0.45) PDE1BPDE1APDE1CTTKBRD4
SCHEMBL26719386 0.81 PDE1B (0.45) PDE1BPDE1APDE1CTTKBRD4
SCHEMBL26718510 0.81 DYRK1A (0.45) GSK3BDYRK1ANFATC1CDK2CDK9
SCHEMBL26719137 0.79 GSK3B (0.45) GSK3BDYRK1ANFATC1CDK2CDK9
SCHEMBL25029171 0.79 DYRK1A (0.58) GSK3BDYRK1ANFATC1CDK2CDK9
SCHEMBL29364491 0.79 DYRK1A (0.58) GSK3BDYRK1ANFATC1CDK2CDK9
Trifluoroacetic Acid SCHEMBL29364340 0.76 CCNT1 (0.51) GSK3BDYRK1ANFATC1CDK2CDK9
SCHEMBL25028830 0.76 DYRK1A (0.55) GSK3BDYRK1ANFATC1CDK2CDK9

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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