SCHEMBL5505166

SCHEMBL5505166

ClCc1nc2ccccc2c2cn(-c3ccccc3)nc12

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 19/20 0.62
ADORA2A P29274 10/20 0.62
ADORA1 P30542 3/20 0.62
KMT2A Q03164 1/20 0.54

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
SCHEMBL5504183 0.77 ADORA3 (0.68) ADORA3ADORA2AADORA1
SCHEMBL5507108 0.76 TLR7 (0.57) ADORA3ADORA2AADORA1KMT2A
SCHEMBL18470455 0.71 KMT2A (1.00) ADORA3KMT2A
SCHEMBL31061120 0.68 ADORA3 (1.00) ADORA3ADORA2AADORA1
SCHEMBL31060487 0.68 ADORA3 (1.00) ADORA3ADORA2AADORA1
Hydrochloric Acid SCHEMBL5507703 0.67 ADORA3 (0.71) ADORA3ADORA2AADORA1
SCHEMBL29602139 0.66 ADORA3 (0.49) ADORA3ADORA2AADORA1
SCHEMBL2979520 0.64 ESR2 (0.62) ADORA3ADORA2AADORA1KMT2A
SCHEMBL5505165 0.64 ADORA3 (0.47) ADORA3ADORA2AADORA1
SCHEMBL5508801 0.63 ADORA3 (0.83) ADORA3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863813-A2 PYRAZOLO[3,4-C]QUINOLINES, PYRAZOLO[3,4-C]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS Coley Pharmaceutical Group, Inc. (US) 2007-12-12 EP disclosed
WO-2006107771-A2 PYRAZOLO[3,4-c]QUINOLINES, PYRAZOLO[3,4-c]NAPHTHYRIDINES, ANALOGS THEREOF, AND METHODS COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-10-12 WO disclosed