SCHEMBL14715520

SCHEMBL14715520

CCCc1ccc(NC(=O)c2ccc(C)c(-c3cnc4nc(NC)ncc4c3)c2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.51
LCK P06239 14/20 0.51
MAPK14 Q16539 14/20 0.51
JAK3 P52333 12/20 0.51
BRAF P15056 3/20 0.51
TEK Q02763 2/20 0.51
KRAS P01116 1/20 0.44
RAF1 P04049 1/20 0.44
ABL1 P00519 2/20 0.40
RIPK1 Q13546 1/20 0.40
RIPK3 Q9Y572 1/20 0.40
EGFR P00533 1/20 0.39
DDR2 Q16832 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
SCHEMBL5498060 0.84 MAPK14 (0.58) KDRLCKMAPK14JAK3BRAF
SCHEMBL5503952 0.84 KDR (0.53) KDRLCKMAPK14JAK3BRAF
SCHEMBL5499158 0.81 KDR (0.56) KDRLCKMAPK14JAK3BRAF
SCHEMBL5498136 0.81 LCK (0.64) KDRLCKMAPK14JAK3BRAF
SCHEMBL5498444 0.81 KDR (0.56) KDRLCKMAPK14JAK3BRAF
SCHEMBL23745196 0.81 ABL1 (0.57) KDRLCKMAPK14JAK3BRAF
SCHEMBL5494275 0.80 LCK (0.66) KDRLCKMAPK14JAK3BRAF
SCHEMBL5488786 0.80 LCK (0.65) KDRLCKMAPK14JAK3BRAF
SCHEMBL5493948 0.80 LCK (0.78) KDRLCKMAPK14JAK3BRAF
SCHEMBL5494757 0.79 LCK (0.80) KDRLCKMAPK14JAK3BRAF

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 claimed