SCHEMBL17306755

SCHEMBL17306755

Cc1ccc(-c2ccc3nc(-c4cc(-c5ccc(-c6ccncc6)cc5)cc(-c5cccnc5)c4)nc(-c4ccccc4)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ PIK3CA P42336 2/20 0.46
▸ PDE5A O76074 2/20 0.46
▸ CLK4 Q9HAZ1 3/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ PRKD3 O94806 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ PAK4 O96013 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ FYN P06241 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ RET P07949 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ MET P08581 1/20 0.44

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
SCHEMBL17306756 0.94 PIK3CA (0.51) MAPTMAPK1PIK3CACLK4CHEK1
SCHEMBL17307066 0.94 MAPT (0.45) MAPTMAPK1HTTPIK3CAPDE5A
SCHEMBL17306718 0.91 CYP19A1 (0.48) MAPTMAPK1PIK3CACLK4CHEK1
SCHEMBL17307079 0.90 CYP19A1 (0.47) MAPTMAPK1PIK3CACLK4CHEK1
SCHEMBL17307089 0.87 MKNK1 (0.52) MAPTPIK3CAPDE5AMAP4K4MEN1
SCHEMBL17306700 0.87 MKNK1 (0.52) MAPTPIK3CAPDE5AMAP4K4MEN1
SCHEMBL17307061 0.86 CYP1A2 (0.46) MAPTMAPK1PIK3CACLK4CHEK1
SCHEMBL17306569 0.86 HPGD (0.48) MAPTPIK3CAPDE5ACLK4MEN1
SCHEMBL17306710 0.85 CYP1A2 (0.45) MAPK1PIK3CACLK4CHEK1AURKA
SCHEMBL17307055 0.85 CYP1A2 (0.45) MAPK1PIK3CACLK4CHEK1AURKA

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-2015182769-A1 QUINAZOLINE AND BENZOQUINAZOLINE COMPOUNDS AND PRODUCTION AND USE OF SAME 東ソー株式会社 2015-12-03 — — WO disclosed
Send feedback