SCHEMBL30154553

SCHEMBL30154553

Cc1cc(Cc2nc3cnc4ccc(C#N)cc4c3[nH]2)no1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 18/20 0.53
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL18606424 1.00 LRRK2 (0.53) LRRK2GRIN1GRIN2BIRAK4
SCHEMBL18659010 0.86 LRRK2 (0.42) LRRK2GRIN1GRIN2BIRAK4
SCHEMBL18606456 0.85 LRRK2 (0.52) LRRK2GRIN1GRIN2BIRAK4
SCHEMBL18658935 0.84 LRRK2 (0.49) LRRK2
SCHEMBL18658940 0.84 GRIN2B (0.41) LRRK2GRIN1GRIN2B
SCHEMBL18606314 0.83 LRRK2 (0.51) LRRK2GRIN1GRIN2B
SCHEMBL18658680 0.83 LRRK2 (0.49) LRRK2GRIN1GRIN2BIRAK4
SCHEMBL18606528 0.83 LRRK2 (0.36) LRRK2GRIN1GRIN2BIRAK4
SCHEMBL18659043 0.83 GRIN1 (0.40) LRRK2GRIN1GRIN2B
SCHEMBL30154964 0.82 GRIN2B (0.38) LRRK2GRIN1GRIN2B

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