SCHEMBL14735829

SCHEMBL14735829

COc1ccc(CN2CCN(C)CC2)cc1Nc1ncc(Cl)c(Nc2c(C)cccc2S(N)(=O)=O)n1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 16/20 0.54
INSR P06213 7/20 0.53
AXL P30530 4/20 0.52
AURKA O14965 1/20 0.52
AURKB Q96GD4 1/20 0.52
ROS1 P08922 3/20 0.49
MET P08581 1/20 0.49

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
SCHEMBL14735828 0.85 ALK (0.53) ALKINSRAXLAURKAAURKB
SCHEMBL375403 0.83 ALK (0.63) ALKINSRAXLAURKAAURKB
SCHEMBL382126 0.77 EGFR (0.70) ALKINSR
SCHEMBL5291264 0.74 ZAP70 (0.47) ALKINSRAXLAURKAAURKB
SCHEMBL11916628 0.72 ALK (0.77) ALKINSRAURKAROS1MET
SCHEMBL5284498 0.71 MAP4K1 (0.45) ALKAXLAURKAAURKBMET
SCHEMBL11916467 0.70 ALK (0.70) ALKINSRAXLAURKAAURKB
SCHEMBL1078876 0.70 ALK (0.48) ALKINSRAXLAURKBMET
SCHEMBL25566012 0.70 ALK (0.77) ALKINSRROS1
SCHEMBL18159081 0.70 ALK (1.00) ALKINSR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275413-B1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders NOVARTIS AG (CH) 2013-03-06 EP disclosed