SCHEMBL1078499

SCHEMBL1078499

Cc1cc(-c2c(O)c(-c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)cc3cnc(NC(=O)C4CC4)nc23)ccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.52
BRAF P15056 6/20 0.51
KDR P35968 6/20 0.51
MAPK14 Q16539 6/20 0.51
LCK P06239 6/20 0.51
JAK3 P52333 4/20 0.51
TEK Q02763 2/20 0.51
RAF1 P04049 4/20 0.48
DDR2 Q16832 4/20 0.48
KIT P10721 3/20 0.46
BCR P11274 2/20 0.46
DDR1 Q08345 2/20 0.46
SYK P43405 2/20 0.45
SRC P12931 1/20 0.45
TYK2 P29597 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
BTK Q06187 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL1082637 0.92 ABL1 (0.55) ABL1BRAFKDRMAPK14LCK
SCHEMBL1083477 0.92 KDR (0.55) ABL1BRAFKDRMAPK14LCK
SCHEMBL1149222 0.91 KDR (0.62) ABL1BRAFKDRMAPK14LCK
SCHEMBL1077442 0.90 KDR (0.52) ABL1BRAFKDRMAPK14LCK
SCHEMBL1149236 0.88 DDR2 (0.57) ABL1BRAFKDRMAPK14LCK
SCHEMBL1077229 0.88 ABL1 (0.53) ABL1BRAFKDRMAPK14LCK
SCHEMBL1079625 0.84 ABL1 (0.46) ABL1BRAF
SCHEMBL1079204 0.84 KDR (0.56) ABL1BRAFKDRMAPK14LCK
SCHEMBL1077835 0.83 ABL1 (0.47) ABL1BRAFKDRMAPK14LCK
SCHEMBL1078689 0.82 LCK (0.61) ABL1BRAFKDRMAPK14LCK

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