SCHEMBL5495587

SCHEMBL5495587

Cc1ccncc1-c1ccc2nc(NCCN3CCSCC3(O)O)ncc2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.46
LCK P06239 6/20 0.44
KDR P35968 6/20 0.44
MAPK14 Q16539 6/20 0.44
MAPK9 P45984 2/20 0.44
MAPK10 P53779 2/20 0.44
KIT P10721 1/20 0.44
RIPK1 Q13546 1/20 0.43
RIPK3 Q9Y572 1/20 0.43
MAP4K1 Q92918 1/20 0.42
ABL1 P00519 9/20 0.41
JAK3 P52333 3/20 0.39
SRC P12931 1/20 0.39
TYK2 P29597 1/20 0.39
SYK P43405 1/20 0.39
MAPK8 P45983 1/20 0.39
BTK Q06187 1/20 0.39

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
SCHEMBL5496363 0.78 LCK (0.53) BRAFLCKKDRMAPK14MAPK9
SCHEMBL5496353 0.76 LCK (0.53) BRAFLCKKDRMAPK14MAPK9
SCHEMBL5489346 0.76 BRAF (0.49) BRAFLCKKDRMAPK14MAPK9
SCHEMBL5499069 0.69 BRAF (0.49) BRAFLCKRIPK1RIPK3MAP4K1
SCHEMBL5495562 0.67 BRAF (0.48) BRAFMAPK9MAP4K1ABL1
SCHEMBL14568512 0.67 IRAK4 (0.55) BRAFLCKKDRMAPK14MAP4K1
SCHEMBL5500764 0.67 IRAK4 (0.55) BRAFLCKKDRMAPK14MAP4K1
SCHEMBL5498511 0.67 RIPK2 (0.52) BRAFLCKKDRMAPK14MAPK10
SCHEMBL5497234 0.67 RIPK2 (0.52) BRAFLCKKDRMAPK14MAPK10
SCHEMBL5502267 0.66 RIPK1 (0.70) LCKKDRMAPK14MAPK9MAPK10

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