SCHEMBL3360029

SCHEMBL3360029

CCN1CCC(c2ccc(Nc3nc(-c4cccc(S(C)(=O)=O)c4)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 6/20 0.42
JAK2 O60674 6/20 0.42
DRD2 P14416 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
JAK3 P52333 3/20 0.38
SYK P43405 4/20 0.38
ZAP70 P43403 3/20 0.36
ALK Q9UM73 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
DRD3 P35462 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) PTK2JAK2DRD2SIGMAR1JAK3
SCHEMBL3362704 0.90 ZAP70 (0.40) PTK2JAK2DRD2SIGMAR1JAK3
SCHEMBL3362971 0.90 JAK2 (0.38) PTK2JAK2DRD2SIGMAR1JAK3
SCHEMBL3360647 0.89 ZAP70 (0.43) PTK2JAK2JAK3SYKZAP70
SCHEMBL3359173 0.85 ALK (0.39) PTK2JAK2JAK3SYKALK
SCHEMBL3360308 0.85 SYK (0.44) JAK3SYKZAP70ALK
SCHEMBL3358710 0.83 JAK2 (0.45) PTK2JAK2DRD2SIGMAR1JAK3
SCHEMBL3361735 0.81 SYK (0.40) PTK2JAK2JAK3SYKZAP70
SCHEMBL3358971 0.81 ZAP70 (0.47) PTK2JAK2JAK3ZAP70
SCHEMBL3359068 0.81 ZAP70 (0.39) JAK3SYKZAP70

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