SCHEMBL18658683

SCHEMBL18658683

C[C@@H]1C[C@H](n2c(CN3C=C(C4CC4)NN3)nc3cnc4ccc(C#N)cc4c32)CCO1

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.65

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
SCHEMBL18658682 0.89 LRRK2 (0.64) LRRK2
SCHEMBL18658956 0.88 LRRK2 (0.68) LRRK2
SCHEMBL18658929 0.86 LRRK2 (0.60) LRRK2
SCHEMBL26802804 0.83 LRRK2 (0.75) LRRK2
SCHEMBL26660481 0.82 LRRK2 (0.73) LRRK2
SCHEMBL26803565 0.82 LRRK2 (0.73) LRRK2
SCHEMBL18634666 0.82 LRRK2 (0.73) LRRK2
SCHEMBL26805531 0.82 LRRK2 (0.73) LRRK2
SCHEMBL18658903 0.82 LRRK2 (0.73) LRRK2
SCHEMBL18634359 0.81 LRRK2 (0.74) 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
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