SCHEMBL1078956

SCHEMBL1078956

CCOc1ccc(-c2c(O)c(-c3cc(C(=O)Nc4cc(C(F)(F)F)ccn4)ccc3C)cc3cnc(N)nc23)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.46
KDR P35968 3/20 0.46
JAK3 P52333 3/20 0.46
MAPK14 Q16539 3/20 0.46
TEK Q02763 2/20 0.46
BTK Q06187 12/20 0.41
BRAF P15056 4/20 0.41
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
KCNH2 Q12809 1/20 0.39
CACNA1C Q13936 1/20 0.39

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
SCHEMBL1082754 0.92 LCK (0.44) LCKKDRJAK3MAPK14TEK
SCHEMBL1076926 0.89 LCK (0.48) LCKKDRJAK3MAPK14TEK
SCHEMBL1083158 0.88 LCK (0.50) LCKKDRJAK3MAPK14TEK
SCHEMBL1079336 0.88 LCK (0.49) LCKKDRJAK3MAPK14TEK
SCHEMBL1077552 0.88 LCK (0.49) LCKKDRJAK3MAPK14TEK
SCHEMBL1149288 0.87 LCK (0.48) LCKKDRJAK3MAPK14TEK
SCHEMBL1080143 0.87 LCK (0.50) LCKKDRJAK3MAPK14TEK
SCHEMBL1148921 0.86 LCK (0.48) LCKKDRJAK3MAPK14TEK
SCHEMBL1078407 0.86 LCK (0.48) LCKKDRJAK3MAPK14TEK
SCHEMBL1078927 0.86 LCK (0.48) LCKKDRJAK3MAPK14TEK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2269993-B1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2013-02-27 EP disclosed
EP-2269993-A1 2-AMINOQUINAZOLINE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2011-01-05 EP disclosed