SCHEMBL14547779

SCHEMBL14547779

O=C(c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1F)N1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.58
▸ JAK3 P52333 8/20 0.54
▸ BTK Q06187 7/20 0.54
▸ PTK2 Q05397 3/20 0.54
▸ SGK1 O00141 1/20 0.54
▸ CHEK1 O14757 1/20 0.54
▸ AURKA O14965 1/20 0.54
▸ DAPK3 O43293 1/20 0.54
▸ PRKAB2 O43741 1/20 0.54
▸ JAK2 O60674 1/20 0.54
▸ ROCK2 O75116 1/20 0.54
▸ PRKD3 O94806 1/20 0.54
▸ MAP4K4 O95819 1/20 0.54
▸ PAK4 O96013 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ NTRK1 P04629 1/20 0.54
▸ INSR P06213 1/20 0.54
▸ LCK P06239 1/20 0.54
▸ FYN P06241 1/20 0.54
▸ CSF1R P07333 1/20 0.54

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
SCHEMBL14547945 0.92 LRRK2 (0.56) LRRK2JAK3BTKPTK2SGK1
SCHEMBL14547932 0.92 LRRK2 (0.56) LRRK2JAK3BTKPTK2SGK1
SCHEMBL14547785 0.90 LRRK2 (0.58) LRRK2JAK3BTKPTK2SGK1
SCHEMBL14287420 0.86 LRRK2 (0.72) LRRK2JAK3BTKPTK2SGK1
SCHEMBL14287419 0.85 LRRK2 (0.71) LRRK2JAK3BTKPTK2SGK1
SCHEMBL14547929 0.84 LRRK2 (0.63) LRRK2JAK3BTKPTK2SGK1
SCHEMBL14287421 0.84 LRRK2 (0.72) LRRK2JAK3BTKPTK2SGK1
SCHEMBL14547717 0.84 LRRK2 (0.62) LRRK2JAK3BTKPTK2SGK1
SCHEMBL14547851 0.83 LRRK2 (0.59) LRRK2JAK3BTKPTK2SGK1
SCHEMBL14547937 0.83 LRRK2 (0.55) LRRK2JAK3BTKPTK2SGK1

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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