SCHEMBL3358977

SCHEMBL3358977

O=c1[nH]ccc2cc(Nc3ccccc3)nc(Nc3ccc(C4CCNCC4)cc3)c12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 10/20 0.51
JAK1 P23458 3/20 0.48
JAK2 O60674 3/20 0.48
FER P16591 1/20 0.47
JAK3 P52333 1/20 0.41
LYN P07948 1/20 0.40
FLT3 P36888 1/20 0.40
SYK P43405 1/20 0.40
KCNH2 Q12809 1/20 0.40
TYK2 P29597 1/20 0.39
WEE1 P30291 1/20 0.39
IGF1R P08069 1/20 0.39
PAK4 O96013 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
SCHEMBL1048495 0.91 ZAP70 (0.45) ZAP70JAK1JAK2FERLYN
SCHEMBL1047313 0.88 ZAP70 (0.51) ZAP70JAK1JAK2FERLYN
SCHEMBL1049152 0.87 ZAP70 (0.49) ZAP70JAK1JAK2FERJAK3
SCHEMBL1045667 0.87 ZAP70 (0.47) ZAP70JAK1JAK2FERLYN
SCHEMBL1046592 0.87 ZAP70 (0.61) ZAP70JAK1JAK2SYK
SCHEMBL1047758 0.86 ZAP70 (0.46) ZAP70JAK1JAK2FERSYK
SCHEMBL1048284 0.86 ZAP70 (0.51) ZAP70JAK1JAK2FERLYN
SCHEMBL28790499 0.85 ZAP70 (0.56) ZAP70JAK1JAK2FERTYK2
SCHEMBL1047764 0.84 ZAP70 (0.58) ZAP70JAK1JAK2FERLYN
SCHEMBL1047972 0.84 ZAP70 (0.45) ZAP70JAK1JAK2FERLYN

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 2 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