SCHEMBL13016451

SCHEMBL13016451

Nc1nc2cccc(-c3cccc(CN4CCOCC4)c3)n2n1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 5/20 0.63
▸ NUDT1 P36639 1/20 0.53
▸ JAK3 P52333 5/20 0.52
▸ JAK2 O60674 4/20 0.52
▸ PTK2 Q05397 3/20 0.52
▸ TYK2 P29597 1/20 0.50
▸ NCF1 P14598 1/20 0.49
▸ EGLN2 Q96KS0 1/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ PSMB8 P28062 1/20 0.47
▸ NOS1 P29475 1/20 0.46
▸ PIK3CD O00329 3/20 0.45
▸ USP7 Q93009 1/20 0.45
▸ CHEK1 O14757 1/20 0.44
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43

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
SCHEMBL1422646 0.88 JAK1 (0.72) JAK1NUDT1JAK3JAK2PTK2
SCHEMBL219962 0.78 JAK1 (1.00) JAK1JAK3JAK2TYK2
SCHEMBL18485205 0.78 JAK1 (0.80) JAK1JAK3JAK2PTK2TYK2
SCHEMBL15654121 0.78 JAK1 (0.64) JAK1NUDT1JAK3JAK2PTK2
SCHEMBL15654035 0.77 JAK1 (0.77) JAK1NUDT1JAK3JAK2PTK2
SCHEMBL15654616 0.76 JAK1 (0.71) JAK1NUDT1JAK3JAK2TYK2
SCHEMBL21530929 0.75 JAK2 (0.63) JAK1JAK3JAK2PTK2TYK2
SCHEMBL21530947 0.75 JAK2 (0.63) JAK1JAK3JAK2PTK2TYK2
SCHEMBL21530991 0.74 JAK2 (0.62) JAK1JAK3JAK2PTK2TYK2
SCHEMBL22590377 0.74 JAK2 (0.62) JAK1JAK3JAK2PTK2TYK2

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-2010149769-A1 5-PHENYL-[1,2,4 ]TRIAZOLO[1,5-A]PYRIDIN-2-YL CARBOXAMIDES AS JAK INHIBITORS GALAPAGOS NV (BE) 2010-12-29 — — WO disclosed
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