SCHEMBL12461599

SCHEMBL12461599

Bc1ccccc1CONC(=O)c1cccnc1NCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.54
ABCB1 P08183 1/20 0.46
RET P07949 2/20 0.44
MAP3K20 Q9NYL2 2/20 0.44
RIPK3 Q9Y572 2/20 0.44
CIT O14578 1/20 0.44
MAP3K7 O43318 1/20 0.44
RIPK2 O43353 1/20 0.44
STK10 O94804 1/20 0.44
MAP4K4 O95819 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
RAF1 P04049 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
CSF1R P07333 1/20 0.44
YES1 P07947 1/20 0.44
LYN P07948 1/20 0.44
HCK P08631 1/20 0.44
PDGFRB P09619 1/20 0.44

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
SCHEMBL1714900 0.88 KDR (0.54) KDRABCB1RETMAP3K20RIPK3
SCHEMBL1714439 0.88 KDR (0.54) KDRABCB1RETMAP3K20RIPK3
SCHEMBL1715758 0.86 KDR (0.62) KDRABCB1RETMAP3K20RIPK3
SCHEMBL1715521 0.81 KDR (0.55) KDR
SCHEMBL1715843 0.78 KDR (0.52) KDRABCB1RETMAP3K20RIPK3
SCHEMBL1715778 0.77 KDR (0.53) KDRABCB1RETMAP3K20RIPK3
SCHEMBL1714924 0.77 KDR (0.48) KDRABCB1RETMAP3K20RIPK3
SCHEMBL1714875 0.76 KDR (0.54) KDRABCB1RETMAP3K20RIPK3
SCHEMBL1715211 0.76 KDR (0.47) KDRABCB1RETMAP3K20RIPK3
SCHEMBL1715115 0.76 KDR (0.47) KDRABCB1RETMAP3K20RIPK3

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-1697312-B1 HYDROXAMIC ACID ESTERS AND PHARMACEUTICAL USE THEREOF LEO PHARMA AS (DK) 2011-07-20 EP disclosed