SCHEMBL29362053

SCHEMBL29362053

COc1nc(-c2c[nH]c3c(C#N)cccc23)cnc1OC1CCN(C(C)=O)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.44
▸ PIK3CD O00329 14/20 0.42
▸ PIK3CA P42336 12/20 0.42
▸ PIK3CB P42338 3/20 0.42
▸ PIK3CG P48736 3/20 0.42
▸ NFATC1 O95644 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ PDCD1 Q15116 2/20 0.40
▸ CD274 Q9NZQ7 2/20 0.40
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39

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
SCHEMBL25028902 1.00 BTK (0.44) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29364621 0.92 BTK (0.43) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL26719030 0.92 BTK (0.43) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL25028882 0.92 BTK (0.43) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL26717704 0.92 BTK (0.43) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29361312 0.90 BTK (0.42) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL25029306 0.90 BTK (0.42) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL25029302 0.89 BTK (0.41) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL29363730 0.89 BTK (0.41) BTKPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL25029073 0.88 BTK (0.41) BTKPIK3CDPIK3CAPIK3CBPIK3CG

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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