SCHEMBL5771758

SCHEMBL5771758

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.48
ADORA1 P30542 5/20 0.48
ADORA3 P0DMS8 1/20 0.48
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 3/20 0.45
HSD17B10 Q99714 1/20 0.45
XDH P47989 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPY5R Q15761 1/20 0.42
PRKDC P78527 1/20 0.40
ATM Q13315 1/20 0.40
ATR Q13535 1/20 0.40
CDC7 O00311 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
SCHEMBL5775603 0.84 ADORA3 (0.50) ADORA2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL5774357 0.81 ADORA3 (0.48) ADORA2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL5774543 0.81 ADORA1 (0.48) ADORA2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL5772874 0.77 KDM4E (0.47) ADORA2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL5772983 0.77 KDM4E (0.49) ADORA2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL5796755 0.76 ADORA3 (0.43) ADORA2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL5777863 0.76 NPY5R (0.48) ADORA2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL5776173 0.76 NPY5R (0.51) ADORA2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL6216000 0.76 MEN1 (0.46) ADORA2AADORA1ADORA3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5776353 0.76 NPY5R (0.46) ADORA2AADORA1ADORA3KDM4EALDH1A1

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 7 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
EP-1037886-A1 TRIAZINE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2000-09-27 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 WO disclosed
WO-1999031088-A1 TRIAZINE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 1999-06-24 WO disclosed