SCHEMBL12873992

SCHEMBL12873992

COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc([C@H]4CC[C@H](C5CCOCC5)CC4)cc3)n2)n1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 19/20 0.73
SYK P43405 1/20 0.36

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
SCHEMBL1158512 0.89 ZAP70 (0.67) ZAP70SYK
SCHEMBL12795144 0.89 ZAP70 (0.67) ZAP70SYK
SCHEMBL12795321 0.89 ZAP70 (0.67) ZAP70SYK
SCHEMBL12849057 0.88 ZAP70 (0.67) ZAP70SYK
SCHEMBL1048890 0.88 ZAP70 (0.66) ZAP70SYK
SCHEMBL1157670 0.87 ZAP70 (0.63) ZAP70SYK
SCHEMBL6526419 0.86 ZAP70 (0.65) ZAP70SYK
SCHEMBL1048497 0.85 ZAP70 (0.77) ZAP70SYK
SCHEMBL1045854 0.85 ZAP70 (0.64) ZAP70SYK
SCHEMBL1158303 0.84 ZAP70 (0.66) ZAP70SYK

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-2011014515-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2011-02-03 WO disclosed