SCHEMBL28057749

SCHEMBL28057749

COc1ccccc1-c1c[nH]c2ncnc(N)c12

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 13/20 0.70
JAK3 P52333 4/20 0.70
JAK2 O60674 3/20 0.70
STK4 Q13043 1/20 0.62
STK3 Q13188 1/20 0.62
SRC P12931 1/20 0.53
MAP4K4 O95819 1/20 0.48

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
SCHEMBL23221802 0.86 LRRK2 (0.52) LRRK2JAK3JAK2STK4STK3
SCHEMBL15401403 0.82 LRRK2 (1.00) LRRK2JAK3JAK2STK4STK3
SCHEMBL15032654 0.82 JAK3 (1.00) LRRK2JAK3JAK2STK4STK3
SCHEMBL20162811 0.81 LRRK2 (0.47) LRRK2JAK3JAK2STK4STK3
SCHEMBL15402600 0.79 LRRK2 (1.00) LRRK2JAK3JAK2STK4STK3
SCHEMBL2600622 0.79 LRRK2 (0.57) LRRK2JAK3JAK2STK4STK3
SCHEMBL15032037 0.78 JAK3 (0.78) LRRK2JAK3JAK2STK4STK3
SCHEMBL31301721 0.77 LRRK2 (1.00) LRRK2STK4STK3
SCHEMBL15401359 0.77 LRRK2 (1.00) LRRK2STK4STK3
SCHEMBL21022551 0.76 FGFR1 (0.52) LRRK2JAK3JAK2STK4STK3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105431436-A Pyrrolo [2,3-D ] pyrimidine derivatives, processes for their preparation and their use as kinase inhibitors NERVIANO MEDICAL SCIENCES SRL 2016-03-23 CN disclosed