SCHEMBL3361332

SCHEMBL3361332

CN1CCC(c2ccc(Nc3nc(-c4ccc(CN5CCOCC5)c(S(C)(=O)=O)c4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.49
ZAP70 P43403 1/20 0.39
JAK2 O60674 3/20 0.38
JAK3 P52333 3/20 0.38
PTK2 Q05397 3/20 0.38
BRD4 O60885 2/20 0.34
EML4 Q9HC35 1/20 0.34
ALK Q9UM73 1/20 0.34
MAP4K1 Q92918 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
SCHEMBL3361081 0.88 SYK (0.48) SYKZAP70JAK2JAK3PTK2
SCHEMBL3359888 0.85 ZAP70 (0.41) SYKZAP70MAP4K1
SCHEMBL1046447 0.82 ZAP70 (0.61) SYKZAP70
SCHEMBL27806205 0.81 SYK (0.45) SYKZAP70JAK2JAK3PTK2
SCHEMBL3358971 0.78 ZAP70 (0.47) ZAP70JAK2JAK3PTK2BRD4
SCHEMBL3359025 0.77 SYK (0.42) SYKZAP70JAK2JAK3PTK2
SCHEMBL3358710 0.77 JAK2 (0.45) SYKZAP70JAK2JAK3PTK2
SCHEMBL3360687 0.77 ZAP70 (0.47) ZAP70BRD4MAP4K1
SCHEMBL3363124 0.76 ZAP70 (0.46) ZAP70BRD4MAP4K1
SCHEMBL3360211 0.76 JAK2 (0.41) SYKJAK2JAK3PTK2

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 disclosed
WO-2009097287-A1 COMPOUNDS AND COMPOSITIONS AS KINASE INHIBITORS IRM LLC (BM) 2009-08-06 WO disclosed