SCHEMBL14547972

SCHEMBL14547972

CC(=O)Nc1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 5/20 0.74
▸ PTK2 Q05397 9/20 0.69
▸ MAPK8 P45983 5/20 0.69
▸ PAK4 O96013 4/20 0.69
▸ CLK4 Q9HAZ1 4/20 0.69
▸ AURKA O14965 3/20 0.69
▸ DAPK3 O43293 3/20 0.69
▸ JAK2 O60674 3/20 0.69
▸ RET P07949 3/20 0.69
▸ LTK P29376 3/20 0.69
▸ KDR P35968 3/20 0.69
▸ MAP2K2 P36507 3/20 0.69
▸ MAPK9 P45984 3/20 0.69
▸ CLK2 P49760 3/20 0.69
▸ RPS6KA3 P51812 3/20 0.69
▸ JAK3 P52333 3/20 0.69
▸ CDK5 Q00535 3/20 0.69
▸ MAP2K1 Q02750 3/20 0.69
▸ MST1R Q04912 3/20 0.69
▸ MAP4K2 Q12851 3/20 0.69

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
SCHEMBL14287392 0.86 LRRK2 (0.76) LRRK2PTK2MAPK8PAK4CLK4
SCHEMBL14287407 0.86 LRRK2 (0.82) LRRK2PTK2MAPK8PAK4CLK4
SCHEMBL14547935 0.85 LRRK2 (0.74) LRRK2PTK2MAPK8PAK4CLK4
SCHEMBL14287394 0.85 PTK2 (0.79) LRRK2PTK2MAPK8PAK4CLK4
SCHEMBL14547975 0.85 LRRK2 (0.80) LRRK2PTK2MAPK8PAK4CLK4
SCHEMBL14287413 0.85 LRRK2 (1.00) LRRK2PTK2MAPK8PAK4CLK4
SCHEMBL14287399 0.84 LRRK2 (0.76) LRRK2PTK2MAPK8PAK4CLK4
SCHEMBL14547958 0.84 LRRK2 (0.72) LRRK2PTK2MAPK8PAK4CLK4
SCHEMBL14287418 0.84 PTK2 (0.83) LRRK2PTK2MAPK8PAK4CLK4
SCHEMBL14547778 0.84 LRRK2 (0.72) LRRK2PTK2MAPK8PAK4CLK4

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
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 — — WO disclosed
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