SCHEMBL29364692

SCHEMBL29364692

Cc1nc(-c2n[nH]c3c(C#N)cccc23)cnc1OC(C)CN

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NFATC1 O95644 1/20 0.32
▸ GSK3B P49841 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ TTK P33981 1/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ SLC5A1 P13866 1/20 0.30
▸ SLC5A2 P31639 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
SCHEMBL25218789 1.00 NFATC1 (0.32) NFATC1GSK3BDYRK1ATTKMAPK8
SCHEMBL25029318 0.85 NFATC1 (0.32) NFATC1GSK3BDYRK1A
SCHEMBL29361278 0.83 DYRK1A (0.49) NFATC1GSK3BDYRK1A
SCHEMBL25029081 0.83 DYRK1A (0.49) NFATC1GSK3BDYRK1A
SCHEMBL26180189 0.82 AAK1 (0.35) NFATC1GSK3BDYRK1A
SCHEMBL25029103 0.80 MBOAT4 (0.36) NFATC1GSK3BDYRK1A
SCHEMBL29364371 0.80 MBOAT4 (0.36) NFATC1GSK3BDYRK1A
SCHEMBL26180175 0.74 MAPK1 (0.32) —
SCHEMBL26180157 0.72 GSK3B (0.41) NFATC1GSK3BDYRK1A
SCHEMBL29361374 0.71 BTK (0.46) —

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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