SCHEMBL5553852

SCHEMBL5553852

CN1CCC(COc2cc(CNc3ncccc3C(N)=O)ccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
STAT6 P42226 1/20 0.41
APAF1 O14727 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AURKA O14965 11/20 0.40
RPS6KB1 P23443 10/20 0.40
AURKB Q96GD4 5/20 0.40
ROCK2 O75116 1/20 0.38
ABCB1 P08183 1/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
JAK3 P52333 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
SCHEMBL427707 0.85 KDR (0.50) ABCB1
SCHEMBL444797 0.83 KDR (0.60) ABCB1
SCHEMBL464559 0.83 KDR (0.49) ABCB1
SCHEMBL446139 0.82 KDR (0.39) ABCB1
SCHEMBL447411 0.81 KDR (0.52) ABCB1
SCHEMBL446781 0.81 KDR (0.53) KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL6223739 0.80 KDM4E (0.54) KDM4EALDH1A1HPGDHSD17B10AURKA
SCHEMBL446447 0.80 KDR (0.68) ABCB1
SCHEMBL444617 0.79 KDR (0.54) ALDH1A1HPGDL3MBTL1ABCB1
SCHEMBL448258 0.79 KIT (0.50) ABCB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP claimed
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
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed