SCHEMBL5771494

SCHEMBL5771494

Oc1nc(O)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.48
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 1/20 0.47
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NTSR1 P30989 1/20 0.42
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 1/20 0.41
ALOX15 P16050 1/20 0.41
PIM1 P11309 1/20 0.40
CSNK2A2 P19784 1/20 0.40
CLK1 P49759 1/20 0.40
GSK3B P49841 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40

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
SCHEMBL5774884 0.85 CDC7 (0.47) CDC7ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5771811 0.84 CDC7 (0.46) CDC7ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5774357 0.84 ADORA3 (0.48) CDC7ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5777145 0.84 XDH (0.51) CDC7ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5772088 0.80 ESR1 (0.48) CDC7ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5771921 0.80 SMN1; SMN2 (0.55) CDC7ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5771204 0.80 ALDH1A1 (0.48) CDC7ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5773858 0.80 ADORA1 (0.51) CDC7ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5772305 0.79 ADORA3 (0.47) CDC7ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5774772 0.78 ADORA1 (0.53) CDC7ALDH1A1KDM4EHPGDHSD17B10

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