SCHEMBL1078874

SCHEMBL1078874

COc1ccc(OC)c(Nc2ncc([N+](=O)[O-])c(NCc3ccccc3S(N)(=O)=O)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 10/20 0.49
▸ ZAP70 P43403 3/20 0.46
▸ ALK Q9UM73 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ INSR P06213 2/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ PLK4 O00444 1/20 0.45
▸ CHEK1 O14757 1/20 0.45
▸ DCLK1 O15075 1/20 0.45
▸ CHUK O15111 1/20 0.45
▸ PDPK1 O15530 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ DYRK3 O43781 1/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ PAK4 O96013 1/20 0.45
▸ CHEK2 O96017 1/20 0.45
▸ ABL1 P00519 1/20 0.45

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
SCHEMBL1078876 0.83 ALK (0.48) ZAP70ALKMAPK1INSRCDC7
SCHEMBL6151150 0.80 ZAP70 (0.65) ZAP70ALKNTRK1IGF1RPTK2
SCHEMBL375534 0.80 ZAP70 (0.65) PRKCQZAP70ALKMAPK1INSR
SCHEMBL5291249 0.76 ALK (0.48) ZAP70ALKMAPK1INSRCDC7
SCHEMBL5284485 0.74 ZAP70 (0.45) ZAP70ALKMAPK1INSRCDC7
SCHEMBL14735828 0.71 ALK (0.53) ALKINSRJAK2METSRC
SCHEMBL12898401 0.71 PRKCQ (0.54) PRKCQMAPK1MAPTKMT2A
SCHEMBL5408522 0.69 LRRK2 (0.65) PRKCQALKMAPK1INSRCDC7
SCHEMBL25192890 0.69 CYP1A2 (0.50) PRKCQMAPK1CLK4MAPTKMT2A
SCHEMBL30443923 0.69 CYP1A2 (0.50) PRKCQMAPK1CLK4MAPTKMT2A

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-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
EP-2275413-A1 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders. Novartis AG (CH) 2011-01-19 — — EP disclosed
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