SCHEMBL3360938

SCHEMBL3360938

Cc1ccncc1-c1cc2c(c(Nc3ccc(N4CCO[C@H](C)C4)c(C)c3)n1)C(=O)[N]C=C2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 2/20 0.49
MAPT P10636 7/20 0.36
GSK3B P49841 4/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
SMO Q99835 1/20 0.35
TNK2 Q07912 4/20 0.34
GSK3A P49840 6/20 0.34
RAF1 P04049 2/20 0.34
BRAF P15056 2/20 0.34
PIM1 P11309 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
PRKCQ Q04759 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL3359423 0.88 ZAP70 (0.55) ZAP70MAPTGSK3BJAK2JAK1
SCHEMBL3359065 0.88 ZAP70 (0.55) ZAP70MAPTGSK3BJAK2JAK1
SCHEMBL3359539 0.86 ZAP70 (0.65) ZAP70JAK2JAK1TYK2JAK3
SCHEMBL3358663 0.86 ZAP70 (0.57) ZAP70MAPTGSK3BJAK2JAK1
SCHEMBL3360218 0.85 ZAP70 (0.48) ZAP70JAK2JAK1TYK2JAK3
SCHEMBL3361973 0.85 ZAP70 (0.47) ZAP70MAPTJAK2JAK1TYK2
SCHEMBL3362594 0.84 ZAP70 (0.55) ZAP70JAK2JAK1TYK2JAK3
SCHEMBL3359760 0.84 ZAP70 (0.48) ZAP70MAPTGSK3BJAK2JAK1
SCHEMBL3362713 0.84 ZAP70 (0.56) ZAP70JAK2JAK1TYK2JAK3
SCHEMBL3359176 0.83 ZAP70 (0.54) ZAP70JAK2JAK1TYK2JAK3

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