SCHEMBL1912059

SCHEMBL1912059

CCOc1cc(N2CCC(NC)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 4/20 0.66
▸ INSR P06213 3/20 0.66
▸ IGF1R P08069 3/20 0.66
▸ ZAP70 P43403 9/20 0.65
▸ EGFR P00533 6/20 0.61
▸ AXL P30530 1/20 0.54
▸ NEK2 P51955 1/20 0.54

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
SCHEMBL12729024 1.00 ALK (0.66) ALKINSRIGF1RZAP70EGFR
SCHEMBL12729035 1.00 ALK (0.66) ALKINSRIGF1RZAP70EGFR
SCHEMBL12780084 0.94 ZAP70 (0.72) ALKINSRIGF1RZAP70EGFR
SCHEMBL12781756 0.92 ALK (0.56) ALKINSRIGF1RZAP70EGFR
SCHEMBL12729034 0.91 ZAP70 (0.69) ALKINSRIGF1RZAP70EGFR
SCHEMBL14175086 0.91 ALK (0.67) ALKINSRIGF1RZAP70EGFR
SCHEMBL12892824 0.91 ALK (0.66) ALKINSRIGF1RZAP70EGFR
SCHEMBL10208645 0.88 ALK (0.68) ALKINSRIGF1RZAP70EGFR
SCHEMBL12780264 0.87 ALK (0.78) ALKINSRIGF1RZAP70EGFR
SCHEMBL12780497 0.86 ZAP70 (0.74) ALKINSRIGF1RZAP70EGFR

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-1660458-B1 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2012-01-25 — — EP disclosed
EP-2287156-A1 2,4-Di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders Novartis AG (CH) 2011-02-23 — — EP disclosed
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