SCHEMBL6224944

SCHEMBL6224944

CC(C)(C)OC(=O)C(Oc1cc(NC(=O)c2cccnc2NCc2ccncc2)ccc1C(F)(F)C(F)(F)F)C1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 0.48
RET P07949 2/20 0.45
MAP3K20 Q9NYL2 2/20 0.45
RIPK3 Q9Y572 2/20 0.45
CIT O14578 1/20 0.45
MAP3K7 O43318 1/20 0.45
RIPK2 O43353 1/20 0.45
STK10 O94804 1/20 0.45
MAP4K4 O95819 1/20 0.45
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
RAF1 P04049 1/20 0.45
LCK P06239 1/20 0.45
FYN P06241 1/20 0.45
CSF1R P07333 1/20 0.45
YES1 P07947 1/20 0.45
LYN P07948 1/20 0.45
HCK P08631 1/20 0.45
PDGFRB P09619 1/20 0.45
FGR P09769 1/20 0.45

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
SCHEMBL6228121 1.00 KDR (0.48) KDRRETMAP3K20RIPK3CIT
SCHEMBL6224194 1.00 KDR (0.48) KDRRETMAP3K20RIPK3CIT
SCHEMBL6226125 0.95 KDR (0.53) KDRRETMAP3K20RIPK3CIT
SCHEMBL6226820 0.94 KDR (0.41) KDRRETMAP3K20RIPK3CIT
SCHEMBL6225538 0.94 KDR (0.41) KDRRETMAP3K20RIPK3CIT
SCHEMBL6222361 0.94 KDR (0.48) KDRRETMAP3K20RIPK3CIT
SCHEMBL6222003 0.90 KDR (0.49) KDRRETMAP3K20RIPK3CIT
SCHEMBL6227086 0.88 PDPK1 (0.43) KDRRETMAP3K20RIPK3CIT
SCHEMBL5553710 0.88 KDR (0.39) KDRRETMAP3K20RIPK3CIT
SCHEMBL5266145 0.86 MAPT (0.40)

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-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO disclosed