SCHEMBL7490924

SCHEMBL7490924

N#Cc1c(-c2ccccc2)cc(N)n2nc(-c3ccccc3)nc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.50
ADORA1 P30542 9/20 0.50
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 3/20 0.48
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PIM1 P11309 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CSNK2A1 P68400 1/20 0.43
ADORA2B P29275 1/20 0.42
SQOR Q9Y6N5 1/20 0.42
ADORA3 P0DMS8 1/20 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
SCHEMBL7708858 0.76 CSNK2A1 (0.49) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL12242279 0.74 ALDH1A1 (0.44) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL13212634 0.72 ADORA1 (0.49) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL13359673 0.70 KDM4E (0.40) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL12220566 0.69 GRM5 (0.43) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL13316719 0.69 CHEK1 (0.48) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL5450251 0.68 LMNA (0.47) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL7703071 0.68 ADORA2A (0.46) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL4911494 0.67 ADORA1 (1.00) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL31120336 0.67 ADORA1 (1.00) ADORA2AADORA1KDM4EALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214322-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-19 EP disclosed
US-6355653-B1 DRUG AND CARRIER FOR ANTIALLERGENS, BRAIN DISORDERS AND NEUROTRANSMITTERS HOFFMANN-LA ROCHE INC. 2002-03-12 US disclosed
WO-2001017999-A2 AMINO-TRIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-03-15 WO disclosed