SCHEMBL29364124

SCHEMBL29364124

CC(=O)N1CCC(Oc2ccc(-c3c[nH]c4c(C#N)cccc34)nc2Cl)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFATC1 O95644 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ BTK Q06187 1/20 0.40
▸ TBK1 Q9UHD2 7/20 0.37
▸ EPHX2 P34913 1/20 0.37
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ PIK3CD O00329 2/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ PIK3CB P42338 2/20 0.35
▸ PIK3CG P48736 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ CDK1 P06493 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
SCHEMBL25029076 1.00 NFATC1 (0.42) NFATC1GSK3BDYRK1ACYP11B1CYP11B2
SCHEMBL26717749 0.91 NFATC1 (0.43) NFATC1GSK3BDYRK1ACYP11B1CYP11B2
SCHEMBL29361860 0.91 NFATC1 (0.43) NFATC1GSK3BDYRK1ACYP11B1CYP11B2
SCHEMBL25029295 0.91 NFATC1 (0.43) NFATC1GSK3BDYRK1ACYP11B1CYP11B2
SCHEMBL29361312 0.88 BTK (0.42) NFATC1GSK3BDYRK1ACYP11B1CYP11B2
SCHEMBL25028656 0.88 NFATC1 (0.40) NFATC1GSK3BDYRK1ACYP11B1CYP11B2
SCHEMBL25029306 0.88 BTK (0.42) NFATC1GSK3BDYRK1ACYP11B1CYP11B2
SCHEMBL29364633 0.88 NFATC1 (0.40) NFATC1GSK3BDYRK1ACYP11B1CYP11B2
SCHEMBL26717234 0.88 NOS3 (0.48) NFATC1GSK3BDYRK1ATBK1NOS3
SCHEMBL25028882 0.82 BTK (0.43) NFATC1GSK3BDYRK1ACYP11B1CYP11B2

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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