SCHEMBL3362166

SCHEMBL3362166

COCCN1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 5/20 0.49
SYK P43405 8/20 0.36
HRH3 Q9Y5N1 1/20 0.35
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
LRRK2 Q5S007 1/20 0.34
EGFR P00533 2/20 0.33
LCK P06239 1/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
BRD4 O60885 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
INSR P06213 1/20 0.32
ALK Q9UM73 1/20 0.32

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
SCHEMBL3359219 0.92 ZAP70 (0.41) ZAP70SYKHRH3TLR9TLR8
SCHEMBL3363030 0.91 ZAP70 (0.39) ZAP70SYKBRD4ATAD2INSR
SCHEMBL3362930 0.85 TLR7 (0.36) ZAP70SYKHRH3TLR9TLR8
SCHEMBL3358208 0.85 TLR9 (0.40) ZAP70HRH3TLR9TLR8TLR7
SCHEMBL3358634 0.84 ZAP70 (0.49) ZAP70EGFRLCKJAK3BTK
SCHEMBL3362358 0.84 ZAP70 (0.45) ZAP70SYKTLR9TLR8TLR7
SCHEMBL3362908 0.84 ZAP70 (0.37) ZAP70SYKHRH3LRRK2EGFR
SCHEMBL1159575 0.83 ZAP70 (0.49) ZAP70SYKBTK
SCHEMBL3362102 0.83 SYK (0.39) ZAP70SYKHRH3LRRK2EGFR
SCHEMBL3362403 0.82 ZAP70 (0.68) ZAP70SYKTLR9TLR8TLR7

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