SCHEMBL3359111

SCHEMBL3359111

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 3/20 0.52
SYK P43405 2/20 0.40
MAP4K1 Q92918 10/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
JAK3 P52333 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
KCNH2 Q12809 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
MAP4K3 Q8IVH8 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL3358601 0.95 ZAP70 (0.49) ZAP70SYKMAP4K1GSK3BDYRK1A
SCHEMBL3359671 0.91 ZAP70 (0.46) ZAP70SYKMAP4K1MAP4K3BRD4
SCHEMBL3362351 0.91 ZAP70 (0.49) ZAP70SYKMAP4K1EGFRLCK
SCHEMBL3363298 0.91 ZAP70 (0.47) ZAP70SYKGSK3BDYRK1AEGFR
SCHEMBL3362595 0.91 ZAP70 (0.48) ZAP70SYKEGFRLCKJAK3
SCHEMBL3360188 0.91 ZAP70 (0.48) ZAP70SYKEGFRLCKJAK3
SCHEMBL3358518 0.91 ZAP70 (0.53) ZAP70SYKEGFRJAK3KCNH2
SCHEMBL3362028 0.90 ZAP70 (0.49) ZAP70SYKEGFRLCKJAK3
SCHEMBL3362403 0.89 ZAP70 (0.68) ZAP70SYKGSK3BDYRK1AEGFR
SCHEMBL3359635 0.89 ZAP70 (0.53) ZAP70SYKGSK3BEGFRLCK

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