SCHEMBL28384341

SCHEMBL28384341

C[C@@H]1C[C@H](n2c(Cc3cnc(CO)cn3)nc3cnc4ccc(Cl)cc4c32)CCO1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 0.85

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
SCHEMBL29627800 1.00 LRRK2 (0.85) LRRK2
SCHEMBL29627999 0.93 LRRK2 (0.83) LRRK2
SCHEMBL30231129 0.93 LRRK2 (0.75) LRRK2
SCHEMBL29627977 0.93 LRRK2 (0.83) LRRK2
SCHEMBL18606308 0.92 LRRK2 (1.00) LRRK2
SCHEMBL18658905 0.92 LRRK2 (1.00) LRRK2
SCHEMBL29627799 0.90 LRRK2 (1.00) LRRK2
SCHEMBL29627976 0.90 LRRK2 (0.91) LRRK2
SCHEMBL29627960 0.90 LRRK2 (0.91) LRRK2
SCHEMBL24027231 0.90 LRRK2 (1.00) 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
CN-111051304-A Novel imidazo [4,5-c ] quinoline derivatives as LRRK2 inhibitors 辉瑞大药厂 2020-04-21 CN claimed
CN-111051304-A Novel imidazo [4,5-c ] quinoline derivatives as LRRK2 inhibitors 辉瑞大药厂 2020-04-21 CN disclosed