SCHEMBL3359173

SCHEMBL3359173

CCN1CCC(c2ccc(Nc3nc(-c4ccccc4S(C)(=O)=O)cc4c3C(=O)[N]C=C4)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.39
PTK2 Q05397 7/20 0.39
JAK3 P52333 7/20 0.39
JAK2 O60674 5/20 0.39
SYK P43405 4/20 0.35
HRH3 Q9Y5N1 2/20 0.34
EGFR P00533 1/20 0.33
LCK P06239 1/20 0.33
BTK Q06187 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
DRD3 P35462 2/20 0.33
HTR6 P50406 1/20 0.33
TYK2 P29597 1/20 0.33
BRD4 O60885 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
SCHEMBL3360759 0.87 SYK (0.36) ALKPTK2JAK3JAK2SYK
SCHEMBL3359025 0.86 SYK (0.42) ALKPTK2JAK3JAK2SYK
SCHEMBL3360029 0.85 PTK2 (0.42) ALKPTK2JAK3JAK2SYK
SCHEMBL3362704 0.83 ZAP70 (0.40) ALKPTK2JAK3JAK2SYK
SCHEMBL3362948 0.82 JAK3 (0.36) PTK2JAK3JAK2SYKEGFR
SCHEMBL3360308 0.81 SYK (0.44) ALKJAK3SYKEGFRLCK
SCHEMBL3362622 0.80 SYK (0.37) PTK2JAK3JAK2SYKEGFR
SCHEMBL3361412 0.79 JAK3 (0.41) ALKPTK2JAK3JAK2SYK
SCHEMBL27806032 0.79 ALK (0.39) ALKPTK2JAK3JAK2SYK
SCHEMBL3361735 0.79 SYK (0.40) PTK2JAK3JAK2SYKEGFR

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