SCHEMBL29363522

SCHEMBL29363522

Cc1nc(-c2c[nH]c3c(C#N)cccc23)cnc1O[C@H]1CN[C@H](C)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.45
▸ DYRK1A Q13627 3/20 0.45
▸ NFATC1 O95644 2/20 0.45
▸ CCNK O75909 2/20 0.39
▸ CDK12 Q9NYV4 2/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ SLC6A4 P31645 2/20 0.35
▸ CDK7 P50613 4/20 0.33
▸ CCNH P51946 4/20 0.33
▸ MNAT1 P51948 4/20 0.33
▸ AR P10275 3/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL29364394 1.00 GSK3B (0.45) GSK3BDYRK1ANFATC1CCNKCDK12
SCHEMBL26180185 1.00 GSK3B (0.45) GSK3BDYRK1ANFATC1CCNKCDK12
SCHEMBL29363483 1.00 GSK3B (0.45) GSK3BDYRK1ANFATC1CCNKCDK12
SCHEMBL25029314 1.00 GSK3B (0.45) GSK3BDYRK1ANFATC1CCNKCDK12
SCHEMBL26180186 1.00 GSK3B (0.45) GSK3BDYRK1ANFATC1CCNKCDK12
SCHEMBL25027652 1.00 GSK3B (0.45) GSK3BDYRK1ANFATC1CCNKCDK12
SCHEMBL25029360 1.00 GSK3B (0.45) GSK3BDYRK1ANFATC1CCNKCDK12
SCHEMBL25028897 1.00 GSK3B (0.45) GSK3BDYRK1ANFATC1CCNKCDK12
SCHEMBL29361823 1.00 GSK3B (0.45) GSK3BDYRK1ANFATC1CCNKCDK12
SCHEMBL25028661 0.90 GSK3B (0.48) GSK3BDYRK1ANFATC1CCNKCDK12

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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