SCHEMBL5771482

SCHEMBL5771482

Clc1nc(-c2ccccc2)[nH]c2cc(-c3ccccc3)nc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 4/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GSK3B P49841 1/20 0.45
MAPT P10636 3/20 0.44
HPGDS O60760 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
FTO Q9C0B1 1/20 0.44
SCN2A Q99250 3/20 0.43
CDC7 O00311 2/20 0.42
MAPK13 O15264 3/20 0.41
RAF1 P04049 3/20 0.41
MAPK12 P53778 3/20 0.41

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
SCHEMBL5776767 0.87 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5774543 0.84 ADORA1 (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5774884 0.82 CDC7 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5773970 0.81 ADORA1 (0.49) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5772105 0.80 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5774041 0.80 ADORA3 (0.51) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5773135 0.80 SMN1; SMN2 (0.55) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5773513 0.78 ADORA3 (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5776325 0.77 ADORA1 (0.54) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL5775897 0.71 MEN1 (0.45) KDM4EALDH1A1HPGDMEN1KMT2A

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-1054887-B1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC (US) 2006-04-12 EP disclosed
US-6583154-B1 Neuropeptide Y antagonist; pyrrolo-(3,2-b)pyridines and pyrrolo-(3,2-d)pyrimidines AMGEN INC. 2003-06-24 US disclosed
US-6187777-B1 PYRROLO(3,2-D)PYRIMIDINE DERIVATIVES; NEUROPEPTIDE Y AND CORTICOTROPIN RELEASING FACTOR MODULATORS; DIETETICS; ANTIDIABETIC, ANTIINFLAMMATORY, AND ANTITUMOR AGENTS AMGEN INC. 2001-02-13 US disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed