SCHEMBL5774866

SCHEMBL5774866

CC(=O)Nc1c(C)nc(C)nc1O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPT P10636 2/20 0.38
EGLN1 Q9GZT9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL15564633 0.90 KMT2A (0.41) KMT2AALDH1A1MAPTL3MBTL1HPGD
SCHEMBL11015282 0.81 KMT2A (0.37) KMT2AALDH1A1L3MBTL1TSHRPOLB
SCHEMBL11131428 0.78 ALDH1A1 (0.37) ALDH1A1MAPTEGLN1L3MBTL1NPSR1
SCHEMBL10477001 0.74 ALOX15 (0.35) ALDH1A1MAPTL3MBTL1NPSR1HPGD
SCHEMBL19512658 0.73 CYP1A2 (0.44) ALDH1A1MAPTL3MBTL1HSD17B10RAB9A
SCHEMBL15565552 0.71 KMT2A (0.41) KMT2AALDH1A1MAPTL3MBTL1HPGD
SCHEMBL7756861 0.71 KMT2A (0.41) KMT2AALDH1A1MAPTHPGDALOX15
SCHEMBL31347383 0.68 EGLN1 (0.38) EGLN1
SCHEMBL12766932 0.67 POLB (0.54) ALDH1A1MAPTL3MBTL1RAB9ACYP1A2
SCHEMBL3804852 0.67 KMT2A (0.38) KMT2AALDH1A1MAPTHPGDALOX15

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