SCHEMBL3358663

SCHEMBL3358663

Cc1ccc(-c2cc3c(c(Nc4ccc(N5CCO[C@H](C)C5)c(C)c4)n2)C(=O)[N]C=C3)cn1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.57
SYK P43405 5/20 0.39
TNK2 Q07912 8/20 0.36
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
SMO Q99835 1/20 0.34
WNT3A P56704 1/20 0.33
MAPT P10636 2/20 0.32
GSK3B P49841 2/20 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
SCHEMBL3359539 0.93 ZAP70 (0.65) ZAP70SYKTNK2JAK2JAK1
SCHEMBL3362594 0.93 ZAP70 (0.55) ZAP70SYKTNK2JAK2JAK1
SCHEMBL3362937 0.93 ZAP70 (0.48) ZAP70SYKJAK2JAK1TYK2
SCHEMBL3359176 0.91 ZAP70 (0.54) ZAP70SYKTNK2JAK2JAK1
SCHEMBL3362713 0.90 ZAP70 (0.56) ZAP70SYKTNK2JAK2JAK1
SCHEMBL3359423 0.90 ZAP70 (0.55) ZAP70SYKTNK2JAK2JAK1
SCHEMBL3359065 0.90 ZAP70 (0.55) ZAP70SYKTNK2JAK2JAK1
SCHEMBL3359939 0.89 ZAP70 (0.55) ZAP70SYKTNK2JAK2JAK1
SCHEMBL3357730 0.89 ZAP70 (0.55) ZAP70SYKTNK2JAK2JAK1
SCHEMBL3356729 0.88 ZAP70 (0.53) ZAP70SYKJAK2

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