SCHEMBL5489730

SCHEMBL5489730

Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCC(=O)O)ncc2c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.72
LCK P06239 8/20 0.72
KDR P35968 8/20 0.72
KIT P10721 5/20 0.72
MAPK9 P45984 4/20 0.72
MAPK10 P53779 3/20 0.72
RIPK1 Q13546 1/20 0.57
RIPK3 Q9Y572 1/20 0.57
CSF1R P07333 1/20 0.56
JAK3 P52333 2/20 0.53
ABL1 P00519 3/20 0.52
SRC P12931 1/20 0.49
TYK2 P29597 1/20 0.49
SYK P43405 1/20 0.49
MAPK8 P45983 1/20 0.49
BTK Q06187 1/20 0.49

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
SCHEMBL5494069 0.92 MAPK14 (0.71) MAPK14LCKKDRKITMAPK9
SCHEMBL5504884 0.91 MAPK14 (0.70) MAPK14LCKKDRKITMAPK9
SCHEMBL14715591 0.91 MAPK14 (0.72) MAPK14LCKKDRKITMAPK9
SCHEMBL5491947 0.90 MAPK14 (0.73) MAPK14LCKKDRKITMAPK9
SCHEMBL5494293 0.89 MAPK14 (0.70) MAPK14LCKKDRKITMAPK9
SCHEMBL5488879 0.89 MAPK14 (0.72) MAPK14LCKKDRKITMAPK9
SCHEMBL5498385 0.89 MAPK14 (0.72) MAPK14LCKKDRKITMAPK9
SCHEMBL14715602 0.89 MAPK14 (0.69) MAPK14LCKKDRKITMAPK9
SCHEMBL14724726 0.88 MAPK14 (0.71) MAPK14LCKKDRKITMAPK9
SCHEMBL5498075 0.88 MAPK14 (0.70) MAPK14LCKKDRKITMAPK9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 EP claimed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP claimed
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