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
SCHEMBL20183084 0.71 — —
SCHEMBL20183115 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
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