SCHEMBL28076020

SCHEMBL28076020

O=CNc1nnc2cc(-c3ccncc3)ccc2c1NCCO

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 11/20 0.64
▸ JAK2 O60674 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ CLK2 P49760 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ PRKCH P24723 1/20 0.38
▸ PRKCE Q02156 1/20 0.38
▸ PRKCQ Q04759 1/20 0.38
▸ PRKCD Q05655 1/20 0.38
▸ LATS1 O95835 1/20 0.38
▸ LATS2 Q9NRM7 1/20 0.38
▸ CSF1R P07333 4/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MITF O75030 1/20 0.35

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
SCHEMBL28075952 0.80 LRRK2 (0.48) LRRK2GSK3BPRKCDCSF1RERN1
SCHEMBL28075964 0.79 LRRK2 (0.61) LRRK2CSF1R
SCHEMBL14059209 0.79 LRRK2 (0.64) LRRK2JAK2ROCK2MAP4K4RPS6KB1
SCHEMBL14059908 0.78 LRRK2 (1.00) LRRK2CSF1R
SCHEMBL28076036 0.74 LRRK2 (0.66) LRRK2CSF1R
SCHEMBL14060221 0.73 LRRK2 (0.65) LRRK2JAK2ROCK2MAP4K4RPS6KB1
SCHEMBL14059972 0.72 LRRK2 (1.00) LRRK2CSF1R
SCHEMBL28075851 0.71 LRRK2 (0.42) LRRK2CSF1R
SCHEMBL28830340 0.70 LRRK2 (0.61) LRRK2
SCHEMBL28076019 0.68 LRRK2 (0.39) 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
Send feedback