SCHEMBL18658907

SCHEMBL18658907

C[C@@H]1CC(n2c(Cc3ccon3)nc3cnc4cccnc4c32)CCO1

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.51

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
SCHEMBL23922646 1.00 LRRK2 (0.51) LRRK2
SCHEMBL18606520 1.00 LRRK2 (0.51) LRRK2
SCHEMBL18658918 0.85 LRRK2 (0.65) LRRK2
SCHEMBL18606319 0.85 LRRK2 (0.65) LRRK2
SCHEMBL18606376 0.85 LRRK2 (0.65) LRRK2
SCHEMBL18606402 0.81 LRRK2 (0.76) LRRK2
SCHEMBL18606522 0.81 LRRK2 (0.62) LRRK2
SCHEMBL18606411 0.81 LRRK2 (0.76) LRRK2
SCHEMBL18606415 0.81 LRRK2 (0.62) LRRK2
SCHEMBL23934994 0.81 LRRK2 (0.76) 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 2 patents. 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
WO-2017046675-A1 NOVEL IMIDAZO [4,5-C] QUINOLINE AND IMIDAZO [4,5-C][1,5] NAPHTHYRIDINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER INC. (US) 2017-03-23 WO disclosed