SCHEMBL12874356

SCHEMBL12874356

Cc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCC(N(C)C)CC4)cc3)n2)n1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 17/20 0.57
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
FER P16591 1/20 0.37

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
SCHEMBL1157670 0.89 ZAP70 (0.63) ZAP70JAK2JAK1
SCHEMBL12795259 0.86 ZAP70 (0.76) ZAP70JAK2JAK1FER
SCHEMBL1158452 0.86 ZAP70 (0.76) ZAP70JAK2JAK1FER
SCHEMBL1158240 0.85 ZAP70 (0.62) ZAP70JAK2JAK1FER
SCHEMBL12849057 0.78 ZAP70 (0.67) ZAP70JAK2JAK1FER
SCHEMBL1048890 0.78 ZAP70 (0.66) ZAP70JAK2JAK1
SCHEMBL12794833 0.78 ZAP70 (0.68) ZAP70FER
SCHEMBL1048263 0.77 ZAP70 (0.56) ZAP70JAK2JAK1FER
SCHEMBL1049968 0.76 ZAP70 (0.72) ZAP70
SCHEMBL12873992 0.76 ZAP70 (0.73) ZAP70

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