SCHEMBL29361653

SCHEMBL29361653

CC1(C)NC(=O)c2ccc(-c3c[nH]c4c(C#N)c(Cl)ccc34)nc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.34
▸ DYRK1A Q13627 2/20 0.33
▸ NFATC1 O95644 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CCNT1 O60563 1/20 0.30
▸ CCNK O75909 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ CDK12 Q9NYV4 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
SCHEMBL25028644 1.00 AR (0.34) ARDYRK1ANFATC1GSK3BCCNT1
SCHEMBL25028885 0.87 AR (0.38) ARDYRK1ANFATC1GSK3B
SCHEMBL29364170 0.87 AR (0.38) ARDYRK1ANFATC1GSK3B
SCHEMBL29361320 0.81 AR (0.53) ARDYRK1ANFATC1GSK3B
SCHEMBL25027669 0.81 AR (0.53) ARDYRK1ANFATC1GSK3B
SCHEMBL25027522 0.80 DYRK1A (0.54) ARDYRK1ANFATC1GSK3B
SCHEMBL29364264 0.80 DYRK1A (0.54) ARDYRK1ANFATC1GSK3B
SCHEMBL25029224 0.76 DYRK1A (0.40) ARDYRK1ANFATC1GSK3B
SCHEMBL25029091 0.75 AR (0.55) AR
SCHEMBL25027521 0.75 AR (0.48) AR

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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