SCHEMBL14724717

SCHEMBL14724717

CCCNC(=O)c1ccc(C)c(-c2ccc3nc(N[C@@H]4CCNC4)ncc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.53
LCK P06239 9/20 0.53
KDR P35968 9/20 0.53
JAK3 P52333 5/20 0.53
KIT P10721 1/20 0.52
MAPK9 P45984 1/20 0.52
MAPK10 P53779 1/20 0.52
BRAF P15056 3/20 0.46
ABL1 P00519 1/20 0.46
RIPK1 Q13546 1/20 0.45
RIPK3 Q9Y572 1/20 0.45
DDR2 Q16832 1/20 0.44
TEK Q02763 1/20 0.44
CSF1R P07333 1/20 0.43

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
SCHEMBL5497209 0.90 MAPK14 (0.61) MAPK14LCKKDRJAK3KIT
SCHEMBL5494682 0.85 MAPK14 (0.59) MAPK14LCKKDRJAK3KIT
SCHEMBL21416867 0.85 MAPK14 (0.59) MAPK14LCKKDRJAK3KIT
SCHEMBL5495649 0.85 MAPK14 (0.62) MAPK14LCKKDRJAK3KIT
SCHEMBL5496622 0.81 MAPK14 (0.52) MAPK14LCKKDRJAK3KIT
Bicarbonate SCHEMBL14715594 0.79 MAPK14 (0.66) MAPK14LCKKDRJAK3KIT
SCHEMBL5498159 0.78 MAPK14 (0.58) MAPK14LCKKDRJAK3KIT
SCHEMBL5489130 0.78 MAPK14 (0.58) MAPK14LCKKDRJAK3KIT
SCHEMBL5497028 0.78 MAPK14 (0.58) MAPK14LCKKDRJAK3KIT
SCHEMBL5491560 0.77 MAPK14 (0.64) MAPK14LCKKDRJAK3KIT

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