SCHEMBL19661102

SCHEMBL19661102

OCCCn1ccc2nc(Cl)nc(Cl)c21

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.35
BACE1 P56817 1/20 0.35
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL20996056 0.90 EGFR (0.33)
SCHEMBL19661033 0.81 GRM2 (0.35) TLR7
SCHEMBL19661204 0.81 CSNK2A1 (0.37) CSNK2A1
SCHEMBL20261964 0.81 TLR7 (0.35) TLR7
SCHEMBL2747871 0.78 FGFR1 (0.41) NUDT1BACE1CSNK2A2CSNK2BCSNK2A1
SCHEMBL16484167 0.78 GRIN2B (0.36) TLR7
SCHEMBL18359327 0.77 CYP19A1 (0.33) TLR7
SCHEMBL24476360 0.76 KAT2B (0.42) TLR7
SCHEMBL29101651 0.76 GLA (0.32)
SCHEMBL1716185 0.73 TLR7 (0.46) TLR7

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-2017205762-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR-ASSOCIATED KINASE PHARMACYCLICS LLC (US) 2017-11-30 WO disclosed