SCHEMBL30154559

SCHEMBL30154559

Cc1cnc(Cc2nc3cnc4ccc(C(F)F)cc4c3n2[C@@H]2CCO[C@H](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
SCHEMBL24027295 1.00 LRRK2 (1.00) LRRK2
SCHEMBL24027165 0.89 LRRK2 (1.00) LRRK2
SCHEMBL30154550 0.89 LRRK2 (1.00) LRRK2
SCHEMBL18623715 0.89 LRRK2 (0.84) LRRK2
SCHEMBL18658905 0.87 LRRK2 (1.00) LRRK2
SCHEMBL18606308 0.87 LRRK2 (1.00) LRRK2
SCHEMBL18658808 0.87 LRRK2 (1.00) LRRK2
SCHEMBL18634592 0.87 LRRK2 (1.00) LRRK2
SCHEMBL30154541 0.87 LRRK2 (1.00) LRRK2
SCHEMBL18606511 0.85 LRRK2 (0.81) 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