SCHEMBL29361365

SCHEMBL29361365

Cc1nc(-c2c[nH]c3c(C#N)cccc23)ccc1NCC(C)(C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 3/20 0.50
▸ DYRK1A Q13627 2/20 0.50
▸ NFATC1 O95644 1/20 0.50
▸ AR P10275 10/20 0.37
▸ CDK2 P24941 2/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ HIPK2 Q9H2X6 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ CCNT1 O60563 1/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CCNE1 P24864 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ PGR P06401 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
SCHEMBL25028651 1.00 GSK3B (0.50) GSK3BDYRK1ANFATC1ARCDK2
SCHEMBL25029340 0.86 GSK3B (0.47) GSK3BDYRK1ANFATC1ARCDK2
SCHEMBL29365109 0.86 GSK3B (0.47) GSK3BDYRK1ANFATC1ARCDK2
SCHEMBL25028830 0.86 DYRK1A (0.55) GSK3BDYRK1ANFATC1ARCDK2
SCHEMBL29363648 0.85 GSK3B (0.52) GSK3BDYRK1ANFATC1ARCDK2
SCHEMBL25027634 0.85 GSK3B (0.52) GSK3BDYRK1ANFATC1ARCDK2
SCHEMBL29364138 0.83 DYRK1A (0.55) GSK3BDYRK1ANFATC1ARSLC6A4
SCHEMBL25029164 0.83 DYRK1A (0.55) GSK3BDYRK1ANFATC1ARSLC6A4
SCHEMBL25029171 0.82 DYRK1A (0.58) GSK3BDYRK1ANFATC1ARCDK2
SCHEMBL29364491 0.82 DYRK1A (0.58) GSK3BDYRK1ANFATC1ARCDK2

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
Send feedback