SCHEMBL14547767

SCHEMBL14547767

CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1Cl

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 10/20 0.75
▸ LRRK2 Q5S007 7/20 0.75
▸ PAK4 O96013 5/20 0.75
▸ MAPK8 P45983 5/20 0.75
▸ CLK4 Q9HAZ1 5/20 0.75
▸ AURKB Q96GD4 5/20 0.75
▸ AURKA O14965 4/20 0.75
▸ DAPK3 O43293 4/20 0.75
▸ JAK2 O60674 4/20 0.75
▸ RET P07949 4/20 0.75
▸ LTK P29376 4/20 0.75
▸ KDR P35968 4/20 0.75
▸ MAPK9 P45984 4/20 0.75
▸ RPS6KA3 P51812 4/20 0.75
▸ JAK3 P52333 4/20 0.75
▸ CDK5 Q00535 4/20 0.75
▸ MAP2K1 Q02750 4/20 0.75
▸ MST1R Q04912 4/20 0.75
▸ MAP4K2 Q12851 4/20 0.75
▸ ROCK1 Q13464 4/20 0.75

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
SCHEMBL14547857 0.93 PTK2 (0.64) PTK2LRRK2PAK4MAPK8CLK4
SCHEMBL14547917 0.90 PTK2 (0.76) PTK2LRRK2PAK4MAPK8CLK4
SCHEMBL14547718 0.89 LRRK2 (0.61) PTK2LRRK2PAK4MAPK8CLK4
SCHEMBL14547719 0.89 PTK2 (0.59) PTK2LRRK2PAK4MAPK8CLK4
SCHEMBL14547856 0.87 LRRK2 (0.58) PTK2LRRK2PAK4MAPK8CLK4
SCHEMBL14287393 0.86 PTK2 (1.00) PTK2LRRK2PAK4MAPK8CLK4
SCHEMBL14547777 0.83 PTK2 (0.65) PTK2LRRK2PAK4MAPK8CLK4
SCHEMBL14547929 0.82 LRRK2 (0.63) PTK2LRRK2PAK4MAPK8CLK4
SCHEMBL14547785 0.81 LRRK2 (0.58) PTK2LRRK2PAK4MAPK8CLK4
SCHEMBL14547974 0.81 LRRK2 (0.55) PTK2LRRK2PAK4MAPK8CLK4

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
Send feedback