SCHEMBL9103259

SCHEMBL9103259

COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4C[CH]NCC4)c(C)c3)n2)n1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 18/20 0.77
FER P16591 1/20 0.36
SYK P43405 1/20 0.35

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
SCHEMBL1045699 0.91 ZAP70 (0.84) ZAP70FERSYK
SCHEMBL1045495 0.87 ZAP70 (1.00) ZAP70FER
SCHEMBL1049310 0.86 ZAP70 (0.81) ZAP70FERSYK
SCHEMBL1158040 0.86 ZAP70 (0.78) ZAP70SYK
SCHEMBL9102814 0.85 ZAP70 (0.72) ZAP70FERSYK
SCHEMBL1158216 0.85 ZAP70 (0.79) ZAP70FERSYK
SCHEMBL1159696 0.84 ZAP70 (0.78) ZAP70FERSYK
SCHEMBL1158574 0.84 ZAP70 (0.77) ZAP70FERSYK
SCHEMBL6525190 0.84 ZAP70 (0.77) ZAP70FERSYK
SCHEMBL1158439 0.83 ZAP70 (0.76) ZAP70FERSYK

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-2459556-A1 2, 7 -NAPHTHYRIDIN- 1 -ONE DERIVATIVES AS SYK KINASE INHIBITORS IRM LLC (BM) 2012-06-06 EP claimed