SCHEMBL14724716

SCHEMBL14724716

CCNCC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-c2ccc3nc(NC)ncc3c2)c1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.81
KDR P35968 18/20 0.81
MAPK14 Q16539 18/20 0.81
JAK3 P52333 16/20 0.68
TEK Q02763 2/20 0.65
BRAF P15056 1/20 0.65
SRC P12931 2/20 0.64
TYK2 P29597 2/20 0.64
SYK P43405 2/20 0.64
BTK Q06187 2/20 0.64
DDR2 Q16832 1/20 0.53
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51

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
SCHEMBL21416870 0.92 LCK (0.84) LCKKDRMAPK14JAK3TEK
SCHEMBL5503485 0.90 LCK (1.00) LCKKDRMAPK14JAK3TEK
SCHEMBL5502058 0.89 LCK (0.80) LCKKDRMAPK14JAK3TEK
SCHEMBL5494199 0.88 LCK (0.79) LCKKDRMAPK14JAK3TEK
SCHEMBL5496467 0.87 LCK (0.77) LCKKDRMAPK14JAK3TEK
SCHEMBL5490270 0.85 LCK (0.75) LCKKDRMAPK14JAK3TEK
SCHEMBL5488863 0.82 KDR (0.95) LCKKDRMAPK14JAK3TEK
SCHEMBL5495482 0.82 LCK (0.71) LCKKDRMAPK14JAK3TEK
SCHEMBL21416759 0.82 LCK (0.69) LCKKDRMAPK14JAK3TEK
SCHEMBL5491887 0.81 LCK (0.76) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed