SCHEMBL5492980

SCHEMBL5492980

CCN(CC)CCCNc1ncc2cc(-c3cc(C(=O)Nc4cc(C(F)(F)F)ccc4C4CNC(=O)N4C(C)(C)C)ccc3C)ccc2n1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.57
KDR P35968 18/20 0.57
MAPK14 Q16539 18/20 0.57
JAK3 P52333 14/20 0.52
SRC P12931 2/20 0.52
TYK2 P29597 2/20 0.52
SYK P43405 2/20 0.52
BTK Q06187 2/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
TEK Q02763 2/20 0.48
BRAF P15056 1/20 0.48
DDR2 Q16832 2/20 0.47

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
SCHEMBL5490424 0.88 LCK (0.66) LCKKDRMAPK14JAK3SRC
SCHEMBL5498357 0.88 LCK (0.67) LCKKDRMAPK14JAK3SRC
SCHEMBL5490401 0.83 LCK (0.72) LCKKDRMAPK14JAK3SRC
SCHEMBL5492984 0.83 LCK (0.66) LCKKDRMAPK14JAK3SRC
SCHEMBL5502215 0.82 LCK (0.64) LCKKDRMAPK14JAK3SRC
SCHEMBL5493108 0.82 LCK (0.68) LCKKDRMAPK14JAK3SRC
SCHEMBL5497303 0.81 LCK (0.78) LCKKDRMAPK14JAK3SRC
SCHEMBL5497877 0.81 LCK (0.78) LCKKDRMAPK14JAK3SRC
SCHEMBL5491984 0.81 LCK (0.62) LCKKDRMAPK14JAK3SRC
SCHEMBL5491593 0.81 LCK (0.67) LCKKDRMAPK14JAK3SRC

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-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP claimed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO claimed