SCHEMBL3362887

SCHEMBL3362887

CCN1CCC(c2ccc(Nc3nc(-c4cncc(OC)n4)cc4c3C(=O)[N]C=C4)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 5/20 0.46
SYK P43405 5/20 0.35
JAK3 P52333 4/20 0.35
EGFR P00533 2/20 0.35
LCK P06239 2/20 0.35
TLR7 Q9NYK1 1/20 0.33
ALK Q9UM73 1/20 0.33
JAK2 O60674 1/20 0.33
PTK2 Q05397 1/20 0.33
FGFR1 P11362 1/20 0.33
FGFR4 P22455 1/20 0.33
KDR P35968 1/20 0.33
BTK Q06187 1/20 0.33
BACE1 P56817 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
FGFR3 P22607 1/20 0.32
CYP2C19 P33261 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
SCHEMBL3359058 0.88 ZAP70 (0.42) ZAP70SYKJAK3EGFRJAK2
SCHEMBL3359028 0.87 ZAP70 (0.41) ZAP70SYKJAK3EGFRLCK
SCHEMBL3359641 0.85 ZAP70 (0.41) ZAP70SYKJAK3JAK2PTK2
SCHEMBL3359243 0.85 ZAP70 (0.38) ZAP70SYKJAK3EGFRLCK
SCHEMBL3357306 0.84 ZAP70 (0.37) ZAP70SYKJAK3EGFRLCK
SCHEMBL3359055 0.83 ZAP70 (0.40) ZAP70SYKJAK3JAK2PTK2
SCHEMBL28787246 0.82 ZAP70 (0.44) ZAP70SYKJAK3EGFRLCK
SCHEMBL3359856 0.82 ZAP70 (0.40) ZAP70SYKALK
SCHEMBL1158541 0.81 ZAP70 (0.49) ZAP70SYKALKJAK2
SCHEMBL3359648 0.80 ZAP70 (0.48) ZAP70SYKEGFR

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