SCHEMBL29364249

SCHEMBL29364249

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 6/20 0.47
▸ GSK3B P49841 3/20 0.47
▸ NFATC1 O95644 2/20 0.47
▸ CCNT1 O60563 1/20 0.34
▸ CCNK O75909 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34
▸ AR P10275 8/20 0.33
▸ SLC6A4 P31645 1/20 0.31
▸ ATP4A P20648 1/20 0.31
▸ ATP4B P51164 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.30
▸ NR3C1 P04150 1/20 0.30
▸ PGR P06401 1/20 0.30
▸ NR3C2 P08235 1/20 0.30

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
SCHEMBL25028767 1.00 DYRK1A (0.47) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL25029329 1.00 DYRK1A (0.47) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL26718938 0.89 DYRK1A (0.47) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL29361956 0.86 DYRK1A (0.50) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL25028904 0.86 DYRK1A (0.50) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL25029081 0.85 DYRK1A (0.49) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL29361278 0.85 DYRK1A (0.49) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL26719362 0.84 GSK3B (0.49) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL26180184 0.82 DYRK1A (0.50) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL29361321 0.82 DYRK1A (0.49) DYRK1AGSK3BNFATC1CCNT1CCNK

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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