SCHEMBL23935162

SCHEMBL23935162

C[C@@H]1CC(n2c(Cc3ccncn3)nc3cnc4ccc(C#N)cc4c32)CCO1

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.74

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
SCHEMBL18634437 1.00 LRRK2 (0.74) LRRK2
SCHEMBL18606271 0.90 LRRK2 (0.79) LRRK2
SCHEMBL23934964 0.90 LRRK2 (0.79) LRRK2
SCHEMBL18634695 0.89 LRRK2 (0.75) LRRK2
SCHEMBL23935015 0.89 LRRK2 (0.75) LRRK2
SCHEMBL18623733 0.89 LRRK2 (0.65) LRRK2
SCHEMBL23935192 0.89 LRRK2 (0.76) LRRK2
SCHEMBL18634697 0.89 LRRK2 (0.76) LRRK2
SCHEMBL18606511 0.87 LRRK2 (0.81) LRRK2
SCHEMBL18658673 0.87 LRRK2 (0.81) LRRK2

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
EP-3350178-B1 NOVEL IMIDAZO [4,5-C]QUINOLINE AND IMIDAZO [4,5-C][1,5]NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2021-10-20 EP disclosed