SCHEMBL3358710

SCHEMBL3358710

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.45
PTK2 Q05397 8/20 0.45
JAK3 P52333 5/20 0.45
ZAP70 P43403 3/20 0.36
SYK P43405 7/20 0.36
GPR119 Q8TDV5 1/20 0.36
DRD2 P14416 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP3A4 P08684 1/20 0.34
JAK1 P23458 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
SCHEMBL3359025 0.91 SYK (0.42) JAK2PTK2JAK3ZAP70SYK
SCHEMBL3359635 0.85 ZAP70 (0.53) JAK2PTK2JAK3ZAP70SYK
SCHEMBL3360058 0.85 JAK3 (0.40) JAK2PTK2JAK3ZAP70SYK
SCHEMBL3360308 0.83 SYK (0.44) JAK3ZAP70SYKGPR119
SCHEMBL3360029 0.83 PTK2 (0.42) JAK2PTK2JAK3ZAP70SYK
SCHEMBL3362704 0.82 ZAP70 (0.40) JAK2PTK2JAK3ZAP70SYK
SCHEMBL3358971 0.81 ZAP70 (0.47) JAK2PTK2JAK3ZAP70CYP3A4
SCHEMBL3361735 0.80 SYK (0.40) JAK2PTK2JAK3ZAP70SYK
SCHEMBL3360670 0.79 ZAP70 (0.48) JAK2PTK2JAK3ZAP70SYK
SCHEMBL1048361 0.79 JAK2 (0.47) JAK2PTK2JAK3ZAP70SYK

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