SCHEMBL5776191

SCHEMBL5776191

Cc1nc(N(C)C(C)C(O)c2ccccc2)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ADORA3 P0DMS8 4/20 0.39
ADORA2A P29274 4/20 0.39
ADORA1 P30542 4/20 0.39
AOC3 Q16853 1/20 0.38
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ADORA2B P29275 3/20 0.35
EGFR P00533 1/20 0.35
CSF1R P07333 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ITK Q08881 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
SCHEMBL5777863 0.76 NPY5R (0.48) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL5777606 0.73 ABCB1 (0.39) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL5774357 0.71 ADORA3 (0.48) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL5776188 0.71 NPY5R (0.61)
SCHEMBL5775434 0.71 NPY5R (0.39) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL5775603 0.71 ADORA3 (0.50) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL5773451 0.70 NPY5R (0.56) KDM4EALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL6216000 0.69 MEN1 (0.46) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL5771758 0.69 ADORA2A (0.48) KDM4EALDH1A1ADORA3ADORA2AADORA1
SCHEMBL5774543 0.69 ADORA1 (0.48) KDM4EALDH1A1ADORA3ADORA2AADORA1

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