SCHEMBL13574033

SCHEMBL13574033

Cc1ccc2nc(Nc3cc(CN4CCS(=O)(=O)CC4)cc(-c4cnn(C)c4)c3)ncc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 5/20 0.43
▸ MAP4K3 Q8IVH8 1/20 0.43
▸ IRAK1 P51617 2/20 0.41
▸ TTK P33981 1/20 0.41
▸ JAK2 O60674 4/20 0.39
▸ JAK3 P52333 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ FGFR1 P11362 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ JUN P05412 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ MAPK9 P45984 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ MET P08581 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ TYK2 P29597 1/20 0.36

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
SCHEMBL13336192 0.91 MAP4K1 (0.43) MAP4K1MAP4K3IRAK1TTKJAK2
SCHEMBL13573976 0.90 MAP4K1 (0.44) MAP4K1MAP4K3JUNMAPK8MAPK9
SCHEMBL13573972 0.90 MAP4K1 (0.44) MAP4K1MAP4K3JUNMAPK8MAPK9
SCHEMBL13336207 0.89 MAP4K1 (0.41) MAP4K1MAP4K3IRAK1TTKJAK2
SCHEMBL13574019 0.86 GRM2 (0.42) MAP4K1MAP4K3TTKFGFR1FGFR2
SCHEMBL13574009 0.84 FGFR1 (0.41) MAP4K1MAP4K3FGFR1FGFR2FGFR4
SCHEMBL13574101 0.81 TTK (0.44) MAP4K1MAP4K3TTKFGFR1FGFR2
SCHEMBL13574110 0.81 MAP4K1 (0.46) MAP4K1JAK2JAK3KDRJUN
SCHEMBL13336028 0.80 MAP4K1 (0.43) MAP4K1MAP4K3JUNMAPK8MAPK9
SCHEMBL13362896 0.80 MAP4K1 (0.43) MAP4K1MAP4K3JUNMAPK8MAPK9

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-2009153313-A1 2 -ARYLAMINOQUINAZOLINES FOR TREATING PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2009-12-23 — — WO disclosed
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