SCHEMBL5496793

SCHEMBL5496793

CCN1CCCC(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(C)c(-c3ccc4nc(NC)ncc4c3)c2)C1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LCK P06239 19/20 0.80
KDR P35968 19/20 0.80
MAPK14 Q16539 19/20 0.80
JAK3 P52333 14/20 0.80
SRC P12931 2/20 0.80
TYK2 P29597 2/20 0.80
SYK P43405 2/20 0.80
BTK Q06187 2/20 0.80
BRAF P15056 1/20 0.56
TEK Q02763 1/20 0.56
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
DDR2 Q16832 1/20 0.48

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
SCHEMBL5498098 1.00 LCK (0.80) LCKKDRMAPK14JAK3SRC
SCHEMBL14568888 1.00 LCK (0.80) LCKKDRMAPK14JAK3SRC
SCHEMBL5501568 0.96 LCK (0.84) LCKKDRMAPK14JAK3SRC
SCHEMBL14568885 0.96 LCK (0.84) LCKKDRMAPK14JAK3SRC
SCHEMBL14568884 0.96 LCK (0.84) LCKKDRMAPK14JAK3SRC
SCHEMBL5495613 0.89 LCK (1.00) LCKKDRMAPK14JAK3SRC
SCHEMBL14568898 0.87 LCK (0.61) LCKKDRMAPK14JAK3SRC
SCHEMBL5504823 0.87 LCK (0.61) LCKKDRMAPK14JAK3SRC
SCHEMBL5496532 0.85 LCK (0.73) LCKKDRMAPK14JAK3SRC
SCHEMBL5500194 0.84 LCK (0.81) 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