SCHEMBL29364371

SCHEMBL29364371

Cc1nc(-c2n[nH]c3c(C#N)cccc23)cnc1OCC(C)(C)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MBOAT4 Q96T53 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.32
▸ AAK1 Q2M2I8 2/20 0.31
▸ KCNJ5 P48544 1/20 0.31
▸ KCNJ3 P48549 1/20 0.31
▸ PTGES O14684 3/20 0.31
▸ NFATC1 O95644 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30
▸ RET P07949 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
SCHEMBL25029103 1.00 MBOAT4 (0.36) MBOAT4LRRK2AAK1KCNJ5KCNJ3
SCHEMBL26180189 0.90 AAK1 (0.35) MBOAT4LRRK2AAK1NFATC1GSK3B
Water SCHEMBL25261801 0.82 GSK3B (0.47) MBOAT4NFATC1GSK3BDYRK1ARET
SCHEMBL29361564 0.82 GSK3B (0.47) MBOAT4NFATC1GSK3BDYRK1ARET
SCHEMBL25029318 0.82 NFATC1 (0.32) LRRK2AAK1NFATC1GSK3BDYRK1A
SCHEMBL25029089 0.82 GSK3B (0.47) MBOAT4NFATC1GSK3BDYRK1ARET
SCHEMBL29364692 0.80 NFATC1 (0.32) NFATC1GSK3BDYRK1A
SCHEMBL25218789 0.80 NFATC1 (0.32) NFATC1GSK3BDYRK1A
SCHEMBL29361374 0.73 BTK (0.46) —
SCHEMBL25029338 0.73 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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