SCHEMBL30154549

SCHEMBL30154549

C[C@@H]1C[C@H](n2c(Cn3cncn3)nc3cnc4ccc(C(F)(F)F)cc4c32)CCO1

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
SCHEMBL24027268 1.00 LRRK2 (1.00) LRRK2
SCHEMBL18606441 0.88 LRRK2 (0.78) LRRK2
SCHEMBL18606515 0.88 LRRK2 (0.78) LRRK2
SCHEMBL18634403 0.86 LRRK2 (0.75) LRRK2
SCHEMBL30154556 0.85 LRRK2 (1.00) LRRK2
SCHEMBL24027219 0.85 LRRK2 (1.00) LRRK2
SCHEMBL18634601 0.83 LRRK2 (0.80) LRRK2
SCHEMBL18658828 0.83 LRRK2 (0.80) LRRK2
SCHEMBL20495535 0.82 LRRK2 (1.00) LRRK2
SCHEMBL30154551 0.82 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 3 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
EP-3592741-B1 NOVEL IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2023-02-15 EP disclosed
CN-111051304-B Imidazo [4,5-c ] quinoline derivatives as LRRK2 inhibitors 辉瑞大药厂 2022-12-27 CN disclosed