SCHEMBL3358601

SCHEMBL3358601

COc1cncc(-c2cc3c(c(Nc4ccc(C5CCN(C)C5)cc4)n2)C(=O)[N]C=C3)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.49
SYK P43405 2/20 0.39
TLR7 Q9NYK1 4/20 0.37
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
EGFR P00533 1/20 0.34
LCK P06239 1/20 0.34
JAK3 P52333 1/20 0.34
MAP4K1 Q92918 4/20 0.34
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
ROCK2 O75116 1/20 0.33
AKT1 P31749 1/20 0.32
ACVR1 Q04771 1/20 0.32
PRKDC P78527 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
SCHEMBL3363298 0.95 ZAP70 (0.47) ZAP70SYKTLR7GSK3BDYRK1A
SCHEMBL3359111 0.95 ZAP70 (0.52) ZAP70SYKTLR7GSK3BDYRK1A
SCHEMBL3362351 0.88 ZAP70 (0.49) ZAP70SYKTLR7EGFRLCK
SCHEMBL3360188 0.88 ZAP70 (0.48) ZAP70SYKEGFRLCKJAK3
SCHEMBL3362595 0.88 ZAP70 (0.48) ZAP70SYKEGFRLCKJAK3
SCHEMBL3358518 0.88 ZAP70 (0.53) ZAP70SYKEGFRJAK3ROCK2
SCHEMBL3362028 0.87 ZAP70 (0.49) ZAP70SYKTLR7EGFRLCK
SCHEMBL3359671 0.87 ZAP70 (0.46) ZAP70SYKMAP4K1
SCHEMBL3359391 0.87 ZAP70 (0.44) ZAP70SYKEGFRLCKJAK3
SCHEMBL3362403 0.86 ZAP70 (0.68) ZAP70SYKTLR7GSK3BDYRK1A

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