SCHEMBL20183116

SCHEMBL20183116

C=CC(CCC)NC(=C)N

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL24338279 0.76
SCHEMBL20182958 0.76
SCHEMBL11523628 0.75 PLA2G2C (0.39) TAS1R3TAS1R1
SCHEMBL11525696 0.73 CYP2C9 (0.41) TAS1R3TAS1R1
SCHEMBL22648329 0.72 DPP7 (0.38) TAS1R3TAS1R1
SCHEMBL20183115 0.71
SCHEMBL20183084 0.71
SCHEMBL10417269 0.69 CTSK (0.40)
SCHEMBL23009230 0.68 PIK3CD (0.30) TAS1R3TAS1R1
SCHEMBL23009079 0.67 CTSK (0.51)

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
WO-2018094227-A1 ALKYL PYRROLOPYRIMIDINE ANALOGS AND METHODS OF MAKING AND USING SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-05-24 WO disclosed