SCHEMBL29364439

SCHEMBL29364439

Cc1nc(-c2c[nH]c3c(C#N)cccc23)cnc1OC1CNC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.48
▸ DYRK1A Q13627 3/20 0.48
▸ NFATC1 O95644 2/20 0.48
▸ CCNT1 O60563 3/20 0.41
▸ CCNK O75909 3/20 0.41
▸ CCNE1 P24864 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ CDK9 P50750 3/20 0.41
▸ CDK12 Q9NYV4 3/20 0.41
▸ SLC6A4 P31645 1/20 0.36
▸ AR P10275 5/20 0.34
▸ SGK1 O00141 1/20 0.33
▸ CDK7 P50613 3/20 0.32
▸ CCNH P51946 3/20 0.32
▸ MNAT1 P51948 3/20 0.32
▸ LRRK2 Q5S007 1/20 0.32

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
SCHEMBL25028661 1.00 GSK3B (0.48) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25029249 0.92 GSK3B (0.45) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL29362063 0.92 GSK3B (0.45) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25028899 0.91 CCNT1 (0.49) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25027642 0.90 GSK3B (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL29364406 0.90 DYRK1A (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25028647 0.90 DYRK1A (0.47) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25029314 0.90 GSK3B (0.45) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25029360 0.90 GSK3B (0.45) GSK3BDYRK1ANFATC1CCNT1CCNK
SCHEMBL25028897 0.90 GSK3B (0.45) GSK3BDYRK1ANFATC1CCNT1CCNK

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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