SCHEMBL14573296

SCHEMBL14573296

CNc1nccn2c(-c3ccc(NS(=O)(=O)CCNCc4ccc(Cl)cc4)cc3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 14/20 0.43
▸ FLT3 P36888 2/20 0.38
▸ AURKA O14965 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL14573295 0.90 TTK (0.41) TTKFLT3AURKAADORA3MAPT
SCHEMBL14573297 0.87 TTK (0.43) TTKFLT3AURKAADORA3
SCHEMBL5618446 0.80 TTK (0.57) TTKNPC1RAB9A
SCHEMBL14573294 0.80 TTK (0.50) TTKFLT3AURKA
SCHEMBL6366899 0.78 TTK (0.45) TTKFLT3AURKA
SCHEMBL5618421 0.77 TTK (0.50) TTKFLT3AURKAMEN1KMT2A
SCHEMBL14573293 0.76 TTK (0.44) TTKFLT3AURKA
SCHEMBL5619174 0.76 TTK (0.53) TTKFLT3KDM4EALDH1A1
SCHEMBL5618589 0.72 TTK (0.58) TTKFLT3NPC1
SCHEMBL5618691 0.72 TTK (0.53) TTKFLT3KDM4EALDH1A1MAPT

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
US-7186832-B2 Use of 8-amino-aryl-substituted imidazopyrazines as kinase inhibitors SUGEN INC. (US) 2007-03-06 — — US disclosed
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