SCHEMBL12892824

SCHEMBL12892824

CCOc1cc(N2CC[C@@H](N)C2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)N(C)C)n1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 9/20 0.66
▸ INSR P06213 4/20 0.66
▸ IGF1R P08069 4/20 0.66
▸ EGFR P00533 3/20 0.60
▸ ZAP70 P43403 7/20 0.60
▸ AXL P30530 1/20 0.55
▸ NEK2 P51955 1/20 0.55

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
SCHEMBL14175086 0.92 ALK (0.67) ALKINSRIGF1REGFRZAP70
SCHEMBL12729035 0.91 ALK (0.66) ALKINSRIGF1REGFRZAP70
SCHEMBL1912059 0.91 ALK (0.66) ALKINSRIGF1REGFRZAP70
SCHEMBL12729024 0.91 ALK (0.66) ALKINSRIGF1REGFRZAP70
SCHEMBL12729040 0.91 ZAP70 (0.63) ALKINSRIGF1REGFRZAP70
SCHEMBL12780084 0.90 ZAP70 (0.72) ALKINSRIGF1REGFRZAP70
SCHEMBL10208645 0.89 ALK (0.68) ALKINSRIGF1REGFRZAP70
SCHEMBL12780497 0.89 ZAP70 (0.74) ALKINSRIGF1REGFRZAP70
SCHEMBL12780264 0.88 ALK (0.78) ALKINSRIGF1REGFRZAP70
SCHEMBL12892757 0.87 ALK (0.77) ALKINSRIGF1REGFRZAP70

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
US-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 — — US disclosed
US-7893074-B2 inhibition of focal adhesion kinase or/and IGF-1 Receptor; for example: 2-[2-(2,5-Dimethoxy-phenylamino)-5-nitro-pyrimidin-4-ylamino]-N-methyl-benzenesulfonamide NOVARTIS AG (CH) 2011-02-22 — — US disclosed
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