SCHEMBL14547937

SCHEMBL14547937

O=C(c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1Cl)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 14/20 0.55
▸ PTK2 Q05397 5/20 0.51
▸ JAK3 P52333 5/20 0.51
▸ JAK2 O60674 4/20 0.51
▸ ABL1 P00519 4/20 0.51
▸ RET P07949 4/20 0.51
▸ MAPK8 P45983 4/20 0.51
▸ MAP4K2 Q12851 4/20 0.51
▸ NTRK2 Q16620 4/20 0.51
▸ AURKB Q96GD4 4/20 0.51
▸ TNK2 Q07912 3/20 0.51
▸ CHEK1 O14757 3/20 0.51
▸ AURKA O14965 3/20 0.51
▸ MAP4K4 O95819 3/20 0.51
▸ PAK4 O96013 3/20 0.51
▸ CSF1R P07333 3/20 0.51
▸ LTK P29376 3/20 0.51
▸ KDR P35968 3/20 0.51
▸ MAPK9 P45984 3/20 0.51
▸ RPS6KA3 P51812 3/20 0.51

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
SCHEMBL14547785 0.93 LRRK2 (0.58) LRRK2PTK2JAK3JAK2ABL1
SCHEMBL14547932 0.91 LRRK2 (0.56) LRRK2PTK2JAK3JAK2ABL1
SCHEMBL14547974 0.90 LRRK2 (0.55) LRRK2PTK2JAK3JAK2ABL1
SCHEMBL14547779 0.83 LRRK2 (0.58) LRRK2PTK2JAK3JAK2ABL1
SCHEMBL14547718 0.82 LRRK2 (0.61) LRRK2PTK2JAK3JAK2ABL1
SCHEMBL14547945 0.81 LRRK2 (0.56) LRRK2PTK2JAK3JAK2ABL1
SCHEMBL14547857 0.80 PTK2 (0.64) LRRK2PTK2JAK3JAK2ABL1
SCHEMBL14547856 0.80 LRRK2 (0.58) LRRK2PTK2JAK3JAK2ABL1
SCHEMBL14547767 0.79 PTK2 (0.75) LRRK2PTK2JAK3JAK2ABL1
SCHEMBL14547719 0.78 PTK2 (0.59) LRRK2PTK2JAK3JAK2ABL1

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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