SCHEMBL20055091

SCHEMBL20055091

CC(C)=Cc1nc(C)[nH]c1C

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.31
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL26319882 0.74
SCHEMBL10804545 0.67 CYP1A2 (0.38)
SCHEMBL17263275 0.64 EGFR (0.35) NOS2
SCHEMBL26319860 0.61
SCHEMBL1079177 0.59 PARP1 (0.41)
Hydrochloric Acid SCHEMBL9663276 0.59
SCHEMBL3591108 0.57
SCHEMBL980632 0.57
SCHEMBL10865229 0.57 HSP90AA1 (0.33)
SCHEMBL18716572 0.56 ADORA3 (0.31) ADORA3

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-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed