SCHEMBL1077787

SCHEMBL1077787

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1cc2cnc(NC3CC3)nc2c(-c2ccc(F)nc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 8/20 0.53
MAPK14 Q16539 8/20 0.53
KDR P35968 7/20 0.53
JAK3 P52333 5/20 0.53
TEK Q02763 2/20 0.53
BRAF P15056 2/20 0.53
BTK Q06187 2/20 0.51
DDR2 Q16832 4/20 0.49
TNK2 Q07912 2/20 0.48
MAP4K2 Q12851 2/20 0.48
ABL1 P00519 1/20 0.47
SYK P43405 2/20 0.47
SRC P12931 1/20 0.47
TYK2 P29597 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A1 P68400 1/20 0.45

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
SCHEMBL1078797 0.95 BRAF (0.50) LCKMAPK14KDRJAK3TEK
SCHEMBL1149064 0.91 LCK (0.65) LCKMAPK14KDRJAK3TEK
SCHEMBL1149045 0.90 KDR (0.56) LCKMAPK14KDRJAK3TEK
SCHEMBL1076762 0.89 LCK (0.54) LCKMAPK14KDRJAK3TEK
SCHEMBL1077383 0.89 KDR (0.54) LCKMAPK14KDRJAK3TEK
SCHEMBL1076887 0.89 BRAF (0.51) LCKMAPK14KDRJAK3TEK
SCHEMBL1078899 0.87 LCK (0.64) LCKMAPK14KDRJAK3TEK
SCHEMBL1079615 0.87 LCK (0.49) LCKMAPK14KDRJAK3TEK
SCHEMBL1082637 0.86 ABL1 (0.55) LCKMAPK14KDRJAK3TEK
SCHEMBL1078338 0.84 DDR2 (0.54) LCKMAPK14KDRJAK3TEK

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