SCHEMBL29363858

SCHEMBL29363858

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

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 4/20 0.45
▸ GSK3B P49841 3/20 0.45
▸ NFATC1 O95644 2/20 0.45
▸ CCNT1 O60563 8/20 0.40
▸ CCNK O75909 8/20 0.40
▸ CCNE1 P24864 8/20 0.40
▸ CDK2 P24941 8/20 0.40
▸ CDK9 P50750 8/20 0.40
▸ CDK12 Q9NYV4 8/20 0.40
▸ AR P10275 4/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ CDK7 P50613 5/20 0.33
▸ CCNH P51946 5/20 0.33
▸ MNAT1 P51948 4/20 0.33
▸ CLK2 P49760 1/20 0.31
▸ CLK3 P49761 1/20 0.31
▸ MAP2K5 Q13163 1/20 0.31
▸ LRRK2 Q5S007 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
SCHEMBL25028895 1.00 DYRK1A (0.45) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL25028901 1.00 DYRK1A (0.45) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL25028661 0.88 GSK3B (0.48) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL29364439 0.88 GSK3B (0.48) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL25028647 0.86 DYRK1A (0.47) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL29364406 0.86 DYRK1A (0.47) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL25029066 0.86 DYRK1A (0.42) DYRK1ACCNT1CCNKCCNE1CDK2
SCHEMBL25029249 0.83 GSK3B (0.45) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL25274305 0.83 GSK3B (0.45) DYRK1AGSK3BNFATC1CCNT1CCNK
SCHEMBL25028646 0.83 GSK3B (0.45) 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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