SCHEMBL3362917

SCHEMBL3362917

CCNCC(=O)N1CCC(c2ccc(Nc3nc(-c4cncnc4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 6/20 0.45
SYK P43405 2/20 0.34
JAK3 P52333 7/20 0.34
EGFR P00533 5/20 0.34
LCK P06239 5/20 0.34
BTK Q06187 4/20 0.34
TLR9 Q9NR96 4/20 0.33
TLR8 Q9NR97 4/20 0.33
TLR7 Q9NYK1 4/20 0.33
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL3358701 0.90 ZAP70 (0.47) ZAP70SYKTLR9TLR8TLR7
SCHEMBL3359243 0.86 ZAP70 (0.38) ZAP70SYKJAK3EGFRLCK
SCHEMBL3358634 0.82 ZAP70 (0.49) ZAP70JAK3EGFRLCKBTK
SCHEMBL3362166 0.81 ZAP70 (0.49) ZAP70SYKJAK3EGFRLCK
SCHEMBL3356474 0.81 ZAP70 (0.37) ZAP70SYKTLR9TLR8TLR7
SCHEMBL3362358 0.80 ZAP70 (0.45) ZAP70SYKTLR9TLR8TLR7
SCHEMBL27805983 0.80 ZAP70 (0.44) ZAP70JAK3EGFRLCKBTK
SCHEMBL1159575 0.80 ZAP70 (0.49) ZAP70SYKBTK
SCHEMBL1048199 0.80 ZAP70 (0.73) ZAP70SYK
SCHEMBL3359436 0.79 ZAP70 (0.48) ZAP70SYKEGFRTLR9TLR8

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