SCHEMBL28076057

SCHEMBL28076057

C[C@H](c1ccccc1)N(C(=O)O)c1c(NC=O)nnc2cc(-c3ccc(C[SH](=O)=O)cc3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 6/20 0.36
▸ EGFR P00533 2/20 0.33
▸ CSF1R P07333 2/20 0.33
▸ PTGES O14684 1/20 0.31
▸ PDE7A Q13946 1/20 0.30
▸ PDE7B Q9NP56 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30

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 0.87 LRRK2 (0.48) LRRK2CSF1R
SCHEMBL28075910 0.87 LRRK2 (0.48) LRRK2CSF1R
SCHEMBL28830376 0.84 LRRK2 (0.37) LRRK2PDE7APDE7B
SCHEMBL28830361 0.75 — —
SCHEMBL28075843 0.75 LRRK2 (0.45) LRRK2CSF1R
SCHEMBL28076019 0.73 LRRK2 (0.39) LRRK2CSF1R
SCHEMBL28075849 0.73 LRRK2 (0.36) LRRK2
SCHEMBL28075851 0.72 LRRK2 (0.42) LRRK2CSF1R
SCHEMBL28830436 0.71 LRRK2 (0.42) LRRK2
SCHEMBL28075918 0.70 LRRK2 (0.49) LRRK2CSF1R

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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