SCHEMBL28075952

SCHEMBL28075952

O=CNc1nnc2cc(-c3ccncc3)ccc2c1CCCO

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 9/20 0.48
▸ ERN1 O75460 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ PRKCA P17252 1/20 0.32
▸ PRKCD Q05655 1/20 0.32
▸ CSF1R P07333 3/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ PKMYT1 Q99640 1/20 0.31
▸ CHEK1 O14757 1/20 0.31
▸ CDK1 P06493 1/20 0.31

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
SCHEMBL28076020 0.80 LRRK2 (0.64) LRRK2ERN1GSK3BPRKCDCSF1R
SCHEMBL28950431 0.78 LRRK2 (0.46) LRRK2GSK3BCHEK1
SCHEMBL28075955 0.77 LRRK2 (0.67) LRRK2CSF1R
SCHEMBL28075964 0.72 LRRK2 (0.61) LRRK2CSF1R
SCHEMBL28075910 0.68 LRRK2 (0.48) LRRK2GSK3BPRKCDCSF1RCDK1
SCHEMBL28075846 0.68 LRRK2 (0.48) LRRK2GSK3BPRKCDCSF1RCDK1
SCHEMBL28076036 0.68 LRRK2 (0.66) LRRK2CSF1R
SCHEMBL14060221 0.66 LRRK2 (0.65) LRRK2GSK3BPRKCAPRKCDCSF1R
SCHEMBL14059972 0.65 LRRK2 (1.00) LRRK2CSF1R
SCHEMBL28830340 0.65 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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