SCHEMBL4423231

SCHEMBL4423231

Cn1cc(-c2cc(Nc3ncc4cc(C#C[Si](C)(C)C)ccc4n3)cc(OCC(=O)O)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.38
▸ MAP4K3 Q8IVH8 1/20 0.38
▸ PDK2 Q15119 1/20 0.36
▸ AURKA O14965 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ JUN P05412 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ JAK3 P52333 2/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK2 O60674 1/20 0.35
▸ DDR2 Q16832 4/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ FGFR3 P22607 2/20 0.35
▸ KDR P35968 2/20 0.35

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
SCHEMBL1571444 0.93 SYK (0.38) MAP4K1MAP4K3GSK3AGSK3BJUN
SCHEMBL13225922 0.90 MAP4K1 (0.39) MAP4K1MAP4K3GSK3BDGAT1JUN
SCHEMBL1571452 0.90 MAP4K1 (0.39) MAP4K1MAP4K3PDK2AURKAGSK3A
SCHEMBL1571982 0.88 DDR2 (0.36) MAP4K1MAP4K3JUNMAPK8MAPK9
SCHEMBL1571762 0.87 MAP4K1 (0.39) MAP4K1MAP4K3JUNMAPK8MAPK9
SCHEMBL1571675 0.86 BRAF (0.36) MAP4K1MAP4K3PDK2JAK3JAK1
SCHEMBL1571606 0.86 MAP4K1 (0.38) MAP4K1MAP4K3JUNMAPK8MAPK9
SCHEMBL1571877 0.86 MAP4K1 (0.38) MAP4K1MAP4K3JUNMAPK8MAPK9
SCHEMBL1572755 0.86 MAP4K1 (0.38) MAP4K1MAP4K3JUNMAPK8MAPK9
SCHEMBL1571160 0.85 BRAF (0.51) 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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