SCHEMBL30154523

SCHEMBL30154523

Cc1cnc(Cc2nc3cnc4ccc(C#N)cc4c3n2[C@@H]2CCN(C)C2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 20/20 1.00

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
SCHEMBL24027169 1.00 LRRK2 (1.00) LRRK2
SCHEMBL25020889 1.00 LRRK2 (1.00) LRRK2
SCHEMBL29627831 0.90 LRRK2 (1.00) LRRK2
SCHEMBL20495597 0.90 LRRK2 (1.00) LRRK2
SCHEMBL18606487 0.90 LRRK2 (0.81) LRRK2
SCHEMBL23934971 0.90 LRRK2 (0.81) LRRK2
SCHEMBL18634468 0.88 LRRK2 (0.79) LRRK2
SCHEMBL18634374 0.88 LRRK2 (0.79) LRRK2
SCHEMBL18634472 0.88 LRRK2 (0.79) LRRK2
SCHEMBL24027269 0.86 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-B Imidazo [4,5-c ] quinoline derivatives as LRRK2 inhibitors 辉瑞大药厂 2022-12-27 CN claimed
CN-111051304-B Imidazo [4,5-c ] quinoline derivatives as LRRK2 inhibitors 辉瑞大药厂 2022-12-27 CN disclosed