SCHEMBL3359189

SCHEMBL3359189

COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(C4CCN(CCC#N)CC4)c(C)c3)n2)cn1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 14/20 0.60
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40
SYK P43405 3/20 0.38

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
SCHEMBL1158081 0.93 ZAP70 (0.63) ZAP70JAK2JAK1SYK
SCHEMBL1158463 0.91 ZAP70 (0.60) ZAP70JAK2JAK1SYK
SCHEMBL1043540 0.90 ZAP70 (0.74) ZAP70JAK2JAK1SYK
SCHEMBL1047940 0.89 ZAP70 (0.68) ZAP70SYK
SCHEMBL1158037 0.89 ZAP70 (0.58) ZAP70JAK2JAK1SYK
SCHEMBL1048440 0.89 ZAP70 (0.60) ZAP70SYK
SCHEMBL1159147 0.87 ZAP70 (0.72) ZAP70JAK2JAK1SYK
SCHEMBL1158545 0.86 ZAP70 (0.56) ZAP70JAK2JAK1
SCHEMBL1047586 0.86 ZAP70 (0.80) ZAP70SYK
SCHEMBL1048484 0.85 ZAP70 (0.64) 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 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