SCHEMBL3359526

SCHEMBL3359526

CN1CCC(c2ccc(Nc3nc(-c4cccnc4)cc4cc[nH]c(=O)c34)cc2)CC1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 15/20 0.84
JAK1 P23458 1/20 0.44
MAP4K1 Q92918 3/20 0.43

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
SCHEMBL1043307 0.91 ZAP70 (1.00) ZAP70JAK1MAP4K1
SCHEMBL3360674 0.91 ZAP70 (0.69) ZAP70
SCHEMBL12928840 0.89 ZAP70 (0.82) ZAP70JAK1MAP4K1
SCHEMBL1049024 0.88 ZAP70 (0.75) ZAP70JAK1MAP4K1
SCHEMBL1046685 0.88 ZAP70 (0.78) ZAP70JAK1MAP4K1
SCHEMBL1048610 0.87 ZAP70 (0.79) ZAP70JAK1MAP4K1
SCHEMBL1046713 0.87 ZAP70 (0.82) ZAP70JAK1MAP4K1
SCHEMBL1047354 0.86 ZAP70 (0.81) ZAP70JAK1MAP4K1
SCHEMBL12928929 0.86 ZAP70 (0.79) ZAP70JAK1MAP4K1
SCHEMBL1047400 0.86 ZAP70 (0.73) ZAP70JAK1MAP4K1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2238137-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2010-10-13 EP claimed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO claimed
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN disclosed