Sugi Predict

Sugi Predict / Compounds / SCHEMBL6863393

SCHEMBL6863393

SCHEMBL6863393

COc1ccc(-c2nc3cc(C(=O)N(CCc4ccccc4)Cc4ccccc4)cc(N)n3n2)s1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.50
▸ RCE1 Q9Y256 1/20 0.43
▸ LPAR1 Q92633 11/20 0.42
▸ LPAR5 Q9H1C0 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ LPAR2 Q9HBW0 2/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ LPAR3 Q9UBY5 1/20 0.38

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
SCHEMBL6870566 0.94 ADORA2A (0.45) ADORA2AMEN1KMT2ACYP3A4
SCHEMBL6867221 0.92 ADORA2A (0.46) ADORA2ARCE1LPAR1MEN1KMT2A
SCHEMBL6863423 0.92 ADORA2A (0.43) ADORA2ALPAR1LPAR5LPAR2CYP3A4
SCHEMBL6863124 0.91 ADORA2A (0.49) ADORA2ALPAR1LPAR5MEN1KMT2A
SCHEMBL6870537 0.90 ADORA2A (0.62) ADORA2A
SCHEMBL6871694 0.86 ADORA2A (0.44) ADORA2AMEN1KMT2A
SCHEMBL6871816 0.84 ADORA2A (0.57) ADORA2A
SCHEMBL6863381 0.80 ADORA2A (0.46) ADORA2ALPAR1LPAR5
SCHEMBL6863086 0.80 PLAU (0.44) ADORA2A
SCHEMBL6863519 0.79 ADORA2A (0.44) ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1347974-B1 AMINOTRIAZOLOPYRIDIINE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS HOFFMANN LA ROCHE (CH) 2004-11-03 — — EP disclosed