SCHEMBL3362284

SCHEMBL3362284

COCCN1CCC(c2ccc(Nc3nc(-c4cccc(OC)n4)cc4c3C(=O)[N]C=C4)cc2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.39
TGFBR1 P36897 5/20 0.38
ALK Q9UM73 5/20 0.36
INSR P06213 2/20 0.36
TLR9 Q9NR96 1/20 0.36
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
ERBB2 P04626 2/20 0.32
EPHA2 P29317 2/20 0.32
KDR P35968 2/20 0.32
EPHB4 P54760 2/20 0.32
SYK P43405 1/20 0.32
WEE1 P30291 1/20 0.31
JAK2 O60674 1/20 0.31
TBK1 Q9UHD2 1/20 0.31

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
SCHEMBL3358792 0.91 ZAP70 (0.42) ZAP70TGFBR1BRD4SYKWEE1
SCHEMBL3358208 0.90 TLR9 (0.40) ZAP70TGFBR1TLR9BRD4ATAD2
SCHEMBL3362565 0.87 ZAP70 (0.40) ZAP70TGFBR1ERBB2JAK2TBK1
SCHEMBL3362099 0.85 ZAP70 (0.45) ZAP70ALKINSRTLR9BRD4
SCHEMBL1158541 0.84 ZAP70 (0.49) ZAP70TGFBR1ALKINSRBRD4
SCHEMBL3359648 0.83 ZAP70 (0.48) ZAP70TGFBR1SYKWEE1
SCHEMBL1158376 0.81 SYK (0.36) ZAP70ALKINSRBRD4ATAD2
SCHEMBL3361810 0.81 TLR9 (0.39) ZAP70TGFBR1TLR9HTR1ADRD2
SCHEMBL1045873 0.80 ZAP70 (0.62) ZAP70TGFBR1ALKTLR9BRD4
SCHEMBL3359856 0.80 ZAP70 (0.40) ZAP70ALKINSRBRD4ATAD2

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 4 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
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