SCHEMBL5771921

SCHEMBL5771921

CCc1nc(O)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
ADORA3 P0DMS8 5/20 0.51
ADORA2A P29274 5/20 0.51
ADORA1 P30542 5/20 0.51
CDC7 O00311 3/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
PIM1 P11309 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CLK1 P49759 1/20 0.39

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
SCHEMBL5774772 0.89 ADORA1 (0.53) SMN1; SMN2ADORA3ADORA2AADORA1CDC7
SCHEMBL5769530 0.85 ADORA1 (0.54) SMN1; SMN2ADORA3ADORA2AADORA1CDC7
SCHEMBL5773135 0.83 SMN1; SMN2 (0.55) SMN1; SMN2ADORA3ADORA2AADORA1CDC7
SCHEMBL5774357 0.81 ADORA3 (0.48) SMN1; SMN2ADORA3ADORA2AADORA1CDC7
SCHEMBL5771494 0.80 CDC7 (0.48) SMN1; SMN2ADORA3ADORA2AADORA1CDC7
SCHEMBL5774884 0.79 CDC7 (0.47) CDC7KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5777145 0.78 XDH (0.51) SMN1; SMN2ADORA3ADORA2AADORA1CDC7
SCHEMBL5771811 0.78 CDC7 (0.46) SMN1; SMN2ADORA3ADORA2AADORA1CDC7
SCHEMBL5773858 0.77 ADORA1 (0.51) ADORA3ADORA2AADORA1CDC7KDM4E
SCHEMBL5771204 0.77 ALDH1A1 (0.48) SMN1; SMN2CDC7KDM4EALDH1A1HPGD

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