SCHEMBL3359635

SCHEMBL3359635

COc1cncc(-c2cc3c(c(Nc4ccc(C5CCN(CCS(C)(=O)=O)CC5)cc4)n2)C(=O)[N]C=C3)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 4/20 0.53
TLR9 Q9NR96 3/20 0.38
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
SYK P43405 2/20 0.36
AKT1 P31749 1/20 0.34
JAK2 O60674 3/20 0.34
PTK2 Q05397 3/20 0.34
JAK3 P52333 3/20 0.34
DRD2 P14416 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
GSK3B P49841 1/20 0.32
EGFR P00533 2/20 0.32
LCK P06239 1/20 0.32
ALK Q9UM73 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
SCHEMBL3362595 0.89 ZAP70 (0.48) ZAP70SYKJAK2PTK2JAK3
SCHEMBL3359111 0.89 ZAP70 (0.52) ZAP70TLR9TLR8TLR7SYK
SCHEMBL3362403 0.89 ZAP70 (0.68) ZAP70TLR9TLR8TLR7SYK
SCHEMBL3362028 0.88 ZAP70 (0.49) ZAP70TLR9TLR8TLR7SYK
SCHEMBL3358601 0.86 ZAP70 (0.49) ZAP70TLR9TLR8TLR7SYK
SCHEMBL3362351 0.85 ZAP70 (0.49) ZAP70TLR9TLR8TLR7SYK
SCHEMBL3358710 0.85 JAK2 (0.45) ZAP70SYKJAK2PTK2JAK3
SCHEMBL3360188 0.85 ZAP70 (0.48) ZAP70SYKJAK3EGFRLCK
SCHEMBL3358518 0.85 ZAP70 (0.53) ZAP70SYKJAK3EGFR
SCHEMBL3359391 0.84 ZAP70 (0.44) ZAP70SYKJAK3EGFRLCK

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