SCHEMBL3359176

SCHEMBL3359176

COc1ccc(-c2cc3c(c(Nc4ccc(N5CCO[C@H](C)C5)c(C)c4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.54
PIK3CA P42336 5/20 0.39
PIK3CD O00329 3/20 0.39
PIK3CB P42338 3/20 0.39
PIK3CG P48736 2/20 0.39
MTOR P42345 2/20 0.39
PI4KB Q9UBF8 1/20 0.39
SYK P43405 5/20 0.37
TNK2 Q07912 5/20 0.34
PDE5A O76074 1/20 0.33
PDE6A P16499 1/20 0.33
SMO Q99835 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 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
SCHEMBL3362713 0.92 ZAP70 (0.56) ZAP70PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3358663 0.91 ZAP70 (0.57) ZAP70SYKTNK2SMOJAK2
SCHEMBL3359539 0.90 ZAP70 (0.65) ZAP70SYKTNK2SMOJAK2
SCHEMBL3362594 0.90 ZAP70 (0.55) ZAP70PIK3CAMTORSYKTNK2
SCHEMBL3361973 0.89 ZAP70 (0.47) ZAP70SYKTNK2JAK2JAK1
SCHEMBL3359939 0.88 ZAP70 (0.55) ZAP70SYKTNK2SMOJAK2
SCHEMBL3357730 0.88 ZAP70 (0.55) ZAP70SYKTNK2SMOJAK2
SCHEMBL3359423 0.88 ZAP70 (0.55) ZAP70SYKTNK2SMOJAK2
SCHEMBL3359065 0.88 ZAP70 (0.55) ZAP70SYKTNK2SMOJAK2
SCHEMBL3356729 0.85 ZAP70 (0.53) ZAP70PIK3CASYKJAK2

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