SCHEMBL20614348

SCHEMBL20614348

CCNc1nc(N)nc(C)c1C

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 18/20 0.68
▸ TLR7 Q9NYK1 6/20 0.68
▸ NLRP3 Q96P20 1/20 0.40
▸ PDE10A Q9Y233 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
SCHEMBL20434274 0.81 TLR8 (1.00) TLR8TLR7
SCHEMBL6128041 0.80 TLR8 (0.70) TLR8TLR7NLRP3
SCHEMBL6416393 0.80 TLR8 (0.90) TLR8TLR7
SCHEMBL11916234 0.78 TLR8 (0.43) TLR8TLR7PDE10A
SCHEMBL11915815 0.76 PDE10A (0.42) TLR8TLR7PDE10A
SCHEMBL9287279 0.76 TLR8 (0.53) TLR8TLR7
SCHEMBL15764603 0.75 LMNA (0.48) TLR8TLR7PDE10A
SCHEMBL20614339 0.72 TLR8 (0.39) TLR8TLR7PDE10A
SCHEMBL7919954 0.71 KDM4E (0.50) TLR8TLR7
SCHEMBL11916225 0.71 PDE10A (0.39) TLR8TLR7NLRP3PDE10A

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-2322523-B1 Process for the preparation of Pyridopyrimidinone Inhibitors of PI3Kalpha EXELIXIS INC (US) 2019-01-02 — — EP disclosed
Send feedback