SCHEMBL14547718

SCHEMBL14547718

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.61
▸ PTK2 Q05397 10/20 0.61
▸ AURKA O14965 3/20 0.61
▸ DAPK3 O43293 3/20 0.61
▸ JAK2 O60674 3/20 0.61
▸ PAK4 O96013 3/20 0.61
▸ CSF1R P07333 3/20 0.61
▸ RET P07949 3/20 0.61
▸ LTK P29376 3/20 0.61
▸ KDR P35968 3/20 0.61
▸ MAPK8 P45983 3/20 0.61
▸ MAPK9 P45984 3/20 0.61
▸ RPS6KA3 P51812 3/20 0.61
▸ JAK3 P52333 3/20 0.61
▸ CDK5 Q00535 3/20 0.61
▸ MAP2K1 Q02750 3/20 0.61
▸ MST1R Q04912 3/20 0.61
▸ MAP4K2 Q12851 3/20 0.61
▸ PRKAA1 Q13131 3/20 0.61
▸ ROCK1 Q13464 3/20 0.61

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 0.91 PTK2 (0.64) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL14547856 0.90 LRRK2 (0.58) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL14547717 0.90 LRRK2 (0.62) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL14547767 0.89 PTK2 (0.75) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL14547719 0.89 PTK2 (0.59) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL14287394 0.84 PTK2 (0.79) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL14547785 0.84 LRRK2 (0.58) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL14547974 0.84 LRRK2 (0.55) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL14547937 0.82 LRRK2 (0.55) LRRK2PTK2AURKADAPK3JAK2
SCHEMBL14547929 0.81 LRRK2 (0.63) LRRK2PTK2AURKADAPK3JAK2

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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