SCHEMBL28790499

SCHEMBL28790499

O=c1[nH]ccc2cc(C3CCNCC3)nc(Nc3ccc(C4CCNCC4)cc3)c12

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 15/20 0.56
JAK1 P23458 2/20 0.51
JAK2 O60674 1/20 0.51
FER P16591 1/20 0.39
TYK2 P29597 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
SCHEMBL1046592 0.86 ZAP70 (0.61) ZAP70JAK1JAK2
SCHEMBL13752982 0.86 ZAP70 (0.50) ZAP70JAK1JAK2FER
SCHEMBL1048813 0.86 ZAP70 (0.56) ZAP70JAK1JAK2FER
SCHEMBL1048131 0.86 ZAP70 (0.56) ZAP70JAK1JAK2FERTYK2
SCHEMBL1047313 0.85 ZAP70 (0.51) ZAP70JAK1JAK2FER
SCHEMBL3358977 0.85 ZAP70 (0.51) ZAP70JAK1JAK2FERTYK2
SCHEMBL13752853 0.85 ZAP70 (0.51) ZAP70JAK1JAK2FER
SCHEMBL1048068 0.84 ZAP70 (0.54) ZAP70JAK1JAK2
SCHEMBL1158014 0.84 ZAP70 (0.66) ZAP70JAK2
SCHEMBL1047828 0.84 ZAP70 (0.54) ZAP70JAK1JAK2FER

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
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN disclosed