SCHEMBL3359025

SCHEMBL3359025

CCN1CCC(c2ccc(Nc3nc(-c4ccc(S(C)(=O)=O)cc4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 7/20 0.42
JAK2 O60674 6/20 0.39
PTK2 Q05397 6/20 0.39
JAK3 P52333 5/20 0.39
ZAP70 P43403 2/20 0.36
ALK Q9UM73 1/20 0.36
HTT P42858 1/20 0.34
DRD2 P14416 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL3360308 0.91 SYK (0.44) SYKJAK3ZAP70ALKGPR119
SCHEMBL3358710 0.91 JAK2 (0.45) SYKJAK2PTK2JAK3ZAP70
SCHEMBL3360029 0.91 PTK2 (0.42) SYKJAK2PTK2JAK3ZAP70
SCHEMBL3362704 0.91 ZAP70 (0.40) SYKJAK2PTK2JAK3ZAP70
SCHEMBL3360058 0.87 JAK3 (0.40) SYKJAK2PTK2JAK3ZAP70
SCHEMBL3359173 0.86 ALK (0.39) SYKJAK2PTK2JAK3ALK
SCHEMBL3359068 0.83 ZAP70 (0.39) SYKJAK3ZAP70
SCHEMBL3363300 0.82 ALK (0.43) SYKALK
SCHEMBL3361735 0.82 SYK (0.40) SYKJAK2PTK2JAK3ZAP70
SCHEMBL3358971 0.82 ZAP70 (0.47) JAK2PTK2JAK3ZAP70

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