SCHEMBL29136885

SCHEMBL29136885

CC(C)c1ccc2nc(CNc3cc(NC(=O)[C@H]4CC4c4cccc(Cl)c4)ncn3)cn2c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.39
▸ MAP4K1 Q92918 4/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ TRPM5 Q9NZQ8 4/20 0.36
▸ LMNA P02545 1/20 0.35
▸ LPAR2 Q9HBW0 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
SCHEMBL29136884 1.00 LRRK2 (0.39) LRRK2MAP4K1ABL1TRPM5LMNA
SCHEMBL24738275 1.00 LRRK2 (0.39) LRRK2MAP4K1ABL1TRPM5LMNA
SCHEMBL29136745 0.90 KDM4E (0.42) LRRK2MAP4K1TRPM5LMNALPAR2
SCHEMBL24738299 0.90 KDM4E (0.42) LRRK2MAP4K1TRPM5LMNALPAR2
SCHEMBL29136748 0.90 KDM4E (0.42) LRRK2MAP4K1TRPM5LMNALPAR2
SCHEMBL24737628 0.89 TYK2 (0.41) TRPM5
SCHEMBL29136958 0.89 TYK2 (0.41) TRPM5
SCHEMBL29136961 0.89 TYK2 (0.41) TRPM5
SCHEMBL24738301 0.88 LRRK2 (0.39) LRRK2MAP4K1ABL1TRPM5LMNA
SCHEMBL29879831 0.88 LRRK2 (0.39) LRRK2MAP4K1ABL1TRPM5LMNA

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-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 — — CN disclosed
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