SCHEMBL9960533

SCHEMBL9960533

COC(=O)c1cc(-c2ccc3nc(N)ncc3c2)cnc1N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.48
IKBKE Q14164 1/20 0.47
TBK1 Q9UHD2 1/20 0.47
LCK P06239 10/20 0.45
KDR P35968 2/20 0.45
JAK3 P52333 2/20 0.45
MAPK14 Q16539 2/20 0.45
ALOX5AP P20292 3/20 0.43
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
CHEK2 O96017 1/20 0.42
PIK3CG P48736 1/20 0.42
KIT P10721 4/20 0.42
SRC P12931 4/20 0.42
PIK3CB P42338 1/20 0.41
TEK Q02763 1/20 0.40

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
SCHEMBL3713695 0.76 AXL (0.59) IKBKETBK1KDRCHEK2
SCHEMBL741344 0.73 PIK3CA (0.61) PIK3CAIKBKETBK1CHEK2PIK3CG
SCHEMBL13188536 0.72 IKBKE (0.57) IKBKETBK1CHEK2
SCHEMBL29041964 0.72 IRAK4 (0.48)
SCHEMBL30508232 0.72 IRAK4 (0.48)
Hydrochloric Acid SCHEMBL29786530 0.72 PIK3CG (0.49) PIK3CAIKBKETBK1ALOX5APCHEK2
SCHEMBL9954448 0.72 PI4KA (0.63) IKBKETBK1PIK3CG
SCHEMBL25750391 0.72 BRAF (0.63) PIK3CALCKKDRJAK3MAPK14
SCHEMBL5492585 0.72 LCK (0.59) LCKKDRJAK3MAPK14TNKS
SCHEMBL28080193 0.71 LCK (0.54) LCKKDRJAK3MAPK14KIT

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed