SCHEMBL3392177

SCHEMBL3392177

Cc1cc(Nc2nc(NCC(F)(F)F)cc3cc[nH]c(=O)c23)ccc1C(N)=O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 7/20 0.58
LRRK2 Q5S007 1/20 0.42
FER P16591 1/20 0.42
JAK1 P23458 7/20 0.39
JAK2 O60674 4/20 0.39
TYK2 P29597 1/20 0.38
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
PTK2 Q05397 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL1048569 0.82 ZAP70 (0.63) ZAP70LRRK2FERJAK1JAK2
SCHEMBL12928940 0.81 ZAP70 (0.61) ZAP70LRRK2FERJAK1JAK2
SCHEMBL27806121 0.80 ZAP70 (0.59) ZAP70LRRK2FERJAK1JAK2
SCHEMBL1048472 0.79 ZAP70 (0.59) ZAP70LRRK2FERJAK1JAK2
SCHEMBL1047208 0.78 ZAP70 (0.63) ZAP70LRRK2FERJAK1JAK2
SCHEMBL1047865 0.76 ZAP70 (0.60) ZAP70LRRK2FERJAK1JAK2
SCHEMBL3390291 0.74 ZAP70 (0.62) ZAP70TYK2SYK
SCHEMBL1047738 0.73 ZAP70 (1.00) ZAP70JAK2SYK
SCHEMBL1049180 0.73 ZAP70 (0.66) ZAP70FERJAK1JAK2
SCHEMBL1158341 0.69 ZAP70 (0.49) ZAP70FERJAK2TYK2PTK2

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 disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed