SCHEMBL5772983

SCHEMBL5772983

Cc1nc(-c2ccccn2)c2nc(-c3ccccc3)cc-2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
NPC1 O15118 2/20 0.49
NPY5R Q15761 1/20 0.46
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42
CBFB Q13951 2/20 0.42
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
HSD17B10 Q99714 1/20 0.41
HPGDS O60760 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
SCHEMBL5776173 0.80 NPY5R (0.51) KDM4ENPY5RADORA3ADORA2AADORA1
SCHEMBL5796755 0.80 ADORA3 (0.43) KDM4EADORA3ADORA2AADORA1HPGD
SCHEMBL5775603 0.79 ADORA3 (0.50) KDM4EADORA3ADORA2AADORA1HPGD
SCHEMBL5771657 0.79 PDPK1 (0.45) KDM4ENPC1ADORA3ADORA2AADORA1
SCHEMBL5772874 0.78 KDM4E (0.47) KDM4EADORA3ADORA2AADORA1HPGD
SCHEMBL5772797 0.77 ADORA3 (0.41) KDM4EADORA3ADORA2AADORA1HPGD
SCHEMBL5774543 0.77 ADORA1 (0.48) KDM4EADORA3ADORA2AADORA1HPGD
SCHEMBL5771758 0.77 ADORA2A (0.48) KDM4ENPC1NPY5RADORA3ADORA2A
SCHEMBL5774357 0.77 ADORA3 (0.48) KDM4EADORA3ADORA2AADORA1HPGD
Hydrochloric Acid SCHEMBL5776151 0.76 ADORA3 (0.40) KDM4EADORA3ADORA2AADORA1HPGD

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