SCHEMBL14724713

SCHEMBL14724713

Cc1ccc(C(=O)Nc2cccc(O)c2O)cc1-c1ccc2nc(NCCN3CCCCC3)ncc2c1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LCK P06239 18/20 0.77
KDR P35968 18/20 0.77
MAPK14 Q16539 18/20 0.77
JAK3 P52333 12/20 0.67
RIPK1 Q13546 1/20 0.66
RIPK3 Q9Y572 1/20 0.66
MAPK9 P45984 2/20 0.62
MAPK10 P53779 2/20 0.62
SRC P12931 1/20 0.62
TYK2 P29597 1/20 0.62
SYK P43405 1/20 0.62
MAPK8 P45983 1/20 0.62
BTK Q06187 1/20 0.62
KIT P10721 1/20 0.61
DDR2 Q16832 1/20 0.48
BRAF P15056 1/20 0.48
TEK Q02763 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
SCHEMBL14724709 0.88 MAPK14 (0.78) LCKKDRMAPK14JAK3RIPK1
SCHEMBL5489606 0.87 LCK (1.00) LCKKDRMAPK14JAK3RIPK1
SCHEMBL5490716 0.86 LCK (0.88) LCKKDRMAPK14JAK3RIPK1
SCHEMBL5496829 0.86 LCK (1.00) LCKKDRMAPK14JAK3RIPK1
SCHEMBL5494466 0.85 LCK (0.88) LCKKDRMAPK14JAK3RIPK1
SCHEMBL5498449 0.85 LCK (0.74) LCKKDRMAPK14JAK3RIPK1
SCHEMBL14715479 0.84 KDR (0.70) LCKKDRMAPK14JAK3RIPK1
SCHEMBL5491491 0.84 MAPK14 (0.85) LCKKDRMAPK14JAK3RIPK1
SCHEMBL5489126 0.83 LCK (0.87) LCKKDRMAPK14JAK3RIPK1
SCHEMBL5498034 0.83 LCK (0.75) LCKKDRMAPK14JAK3RIPK1

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