SCHEMBL28075910

SCHEMBL28075910

C[C@@H](c1ccccc1)N(C(=O)O)c1c(NC=O)nnc2cc(-c3ccncc3)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 12/20 0.48
▸ ROCK2 O75116 4/20 0.38
▸ ROCK1 Q13464 4/20 0.38
▸ CSF1R P07333 2/20 0.38
▸ PRKACA P17612 2/20 0.38
▸ GSK3A P49840 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ PRKX P51817 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ RPS6KA5 O75582 1/20 0.38
▸ MAP4K4 O95819 1/20 0.38
▸ CDK1 P06493 1/20 0.38
▸ FLT1 P17948 1/20 0.38
▸ RPS6KB1 P23443 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ FLT4 P35916 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ FLT3 P36888 1/20 0.38

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
SCHEMBL28075846 1.00 LRRK2 (0.48) LRRK2ROCK2ROCK1CSF1RPRKACA
SCHEMBL28076057 0.87 LRRK2 (0.36) LRRK2CSF1R
SCHEMBL28830344 0.83 LRRK2 (0.48) LRRK2ROCK2ROCK1CSF1RPRKACA
SCHEMBL28075897 0.83 LRRK2 (0.48) LRRK2ROCK2ROCK1CSF1RPRKACA
SCHEMBL28075964 0.72 LRRK2 (0.61) LRRK2CSF1R
SCHEMBL28830376 0.70 LRRK2 (0.37) LRRK2
SCHEMBL28075952 0.68 LRRK2 (0.48) LRRK2CSF1RGSK3BCDK1PRKCD
SCHEMBL28076036 0.67 LRRK2 (0.66) LRRK2CSF1R
SCHEMBL28076020 0.66 LRRK2 (0.64) LRRK2ROCK2ROCK1CSF1RGSK3B
SCHEMBL4031584 0.66 LPAR1 (0.43) ROCK2ROCK1CSF1RPRKACAGSK3A

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-103917525-B The inhibitor of LRRK2 kinase activity 依兰制药公司 2016-08-17 — — CN claimed
CN-103917525-B The inhibitor of LRRK2 kinase activity 依兰制药公司 2016-08-17 — — CN disclosed
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