SCHEMBL6223751

SCHEMBL6223751

COc1cc(CNc2ncccc2C(=O)Nc2cc(OC(C(=O)OC(C)(C)C)C3CCNCC3)cc(C(F)(F)F)c2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.49
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FLT1 P17948 2/20 0.38
CIT O14578 1/20 0.38
MAP3K7 O43318 1/20 0.38
RIPK2 O43353 1/20 0.38
STK10 O94804 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
EGFR P00533 1/20 0.38
RAF1 P04049 1/20 0.38

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
SCHEMBL6224503 0.94 KDR (0.51) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL7016757 0.90 KDR (0.53) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL6222513 0.90 KDR (0.54) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL450385 0.86 KDR (0.55) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL446671 0.85 KDR (0.55) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL6223944 0.85 KDR (0.62) KDRFLT1CITMAP3K7RIPK2
SCHEMBL6222505 0.85 KDR (0.54) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL449203 0.82 KDR (0.51) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL6223556 0.82 KDR (0.58) KDRMEN1ALDH1A1LMNAMAPT
SCHEMBL6229719 0.81 KDR (0.51) KDRMEN1ALDH1A1LMNAMAPT

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