SCHEMBL30613801

SCHEMBL30613801

CCCCOC(=O)N1Cc2nc(-c3ccccc3)nc(O)c2C1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 16/20 0.42
ADORA1 P30542 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
CNR2 P34972 1/20 0.39

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
SCHEMBL30745937 0.81 SMYD3 (0.44) P2RY12
SCHEMBL25438364 0.80 MTOR (0.48)
SCHEMBL30745941 0.76 P2RY12 (0.39) P2RY12ADORA1ADORA3
SCHEMBL30613802 0.72 CA1 (0.40) CNR2
SCHEMBL3118565 0.71 MTHFD2 (0.50)
SCHEMBL3119582 0.70 PDE10A (0.54)
SCHEMBL12811458 0.69 LMNA (0.40) CNR2
SCHEMBL22440456 0.68 LMNA (0.40) CNR2
SCHEMBL13261239 0.68 NAMPT (0.55)
SCHEMBL14144348 0.66 ALDH1A1 (0.54)

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-4472636-A2 TETRAHYDROPYRIDOPYRIMIDINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD The Katholieke Universiteit Leuven (BE) 2024-12-11 EP disclosed
WO-2023150619-A2 TETRAHYDROPYRIDOPYRIMIDINES AND RELATED ANALOGS FOR INHIBITING YAP/TAZ-TEAD THE KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-08-10 WO disclosed