SCHEMBL28830378

SCHEMBL28830378

COc1cccc(-c2ccc3c(NC(C)C)c(NC=O)nnc3c2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 18/20 0.65
▸ USP2 O75604 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ CSF1R P07333 1/20 0.39
▸ PDGFRA P16234 1/20 0.39

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
SCHEMBL28075937 0.85 LRRK2 (0.66) LRRK2LMNACLK4PDGFRA
SCHEMBL28076035 0.85 LRRK2 (0.50) LRRK2CSF1RPDGFRA
SCHEMBL28075920 0.82 LRRK2 (0.66) LRRK2ALDH1A1LMNACYP1A2CYP3A4
SCHEMBL28830377 0.82 LRRK2 (0.64) LRRK2CSF1RPDGFRA
SCHEMBL28075964 0.81 LRRK2 (0.61) LRRK2CSF1RPDGFRA
SCHEMBL28075841 0.81 LRRK2 (0.61) LRRK2CSF1RPDGFRA
SCHEMBL14059261 0.81 LRRK2 (0.64) LRRK2ALDH1A1HSD17B10
SCHEMBL14059975 0.79 LRRK2 (1.00) LRRK2CSF1RPDGFRA
SCHEMBL28075840 0.78 LRRK2 (0.67) LRRK2
SCHEMBL28075842 0.78 LRRK2 (0.61) 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-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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