SCHEMBL29278065

SCHEMBL29278065

Cc1ccnc(C2C[C@@H]2C(=O)Nc2cc(OCc3cn4cc(C5CC5)cnc4n3)cnn2)n1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 0.34
▸ MAP4K1 Q92918 10/20 0.34

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
SCHEMBL29278062 1.00 GRM5 (0.34) GRM5MAP4K1
SCHEMBL29940239 1.00 GRM5 (0.34) GRM5MAP4K1
SCHEMBL29302761 1.00 GRM5 (0.34) GRM5MAP4K1
SCHEMBL24738541 0.91 LRRK2 (0.37) MAP4K1
SCHEMBL29136772 0.91 LRRK2 (0.37) MAP4K1
SCHEMBL29880248 0.91 LRRK2 (0.37) MAP4K1
SCHEMBL29136775 0.91 LRRK2 (0.37) MAP4K1
SCHEMBL29878844 0.86 TYK2 (0.33) MAP4K1
SCHEMBL24738376 0.86 TYK2 (0.33) MAP4K1
SCHEMBL24737796 0.83 MAP4K1 (0.33) MAP4K1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396469-A Inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-12 — — CN disclosed
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