SCHEMBL1079780

SCHEMBL1079780

COC(=O)Nc1ncc2cc(-c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)c(O)c(-c3ccc(Cl)cc3)c2n1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LCK P06239 11/20 0.55
KDR P35968 9/20 0.55
MAPK14 Q16539 9/20 0.55
JAK3 P52333 5/20 0.55
TEK Q02763 3/20 0.55
BRAF P15056 3/20 0.55
DDR2 Q16832 4/20 0.49
SYK P43405 2/20 0.46
BTK Q06187 2/20 0.46
SRC P12931 1/20 0.46
TYK2 P29597 1/20 0.46
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46
MAPK10 P53779 1/20 0.46
KIT P10721 3/20 0.46
RAF1 P04049 2/20 0.45
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
DDR1 Q08345 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
SCHEMBL1077383 0.91 KDR (0.54) LCKKDRMAPK14JAK3TEK
SCHEMBL1077822 0.91 MAPK14 (0.54) LCKKDRMAPK14JAK3TEK
SCHEMBL1149181 0.90 LCK (0.65) LCKKDRMAPK14JAK3TEK
SCHEMBL1077442 0.89 KDR (0.52) LCKKDRMAPK14JAK3TEK
SCHEMBL1082249 0.85 LCK (0.66) LCKKDRMAPK14JAK3TEK
SCHEMBL1149143 0.84 LCK (0.63) LCKKDRMAPK14JAK3TEK
SCHEMBL1079204 0.84 KDR (0.56) LCKKDRMAPK14JAK3TEK
SCHEMBL1076917 0.84 LCK (0.63) LCKKDRMAPK14JAK3TEK
SCHEMBL1148998 0.84 LCK (0.67) LCKKDRMAPK14JAK3TEK
SCHEMBL1149446 0.84 LCK (0.67) LCKKDRMAPK14JAK3TEK

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