SCHEMBL1078876

SCHEMBL1078876

COc1ccc(OC)c(Nc2ncc([N+](=O)[O-])c(Nc3c(C)cccc3S(N)(=O)=O)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 4/20 0.48
▸ PLK1 P53350 4/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ CDC7 O00311 1/20 0.46
▸ PLK4 O00444 1/20 0.46
▸ CHEK1 O14757 1/20 0.46
▸ DCLK1 O15075 1/20 0.46
▸ CHUK O15111 1/20 0.46
▸ PDPK1 O15530 1/20 0.46
▸ DAPK3 O43293 1/20 0.46
▸ DYRK3 O43781 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ PRKD3 O94806 1/20 0.46
▸ MAP4K4 O95819 1/20 0.46
▸ PAK4 O96013 1/20 0.46
▸ CHEK2 O96017 1/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ NTRK1 P04629 1/20 0.46
▸ PRKCG P05129 1/20 0.46

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
SCHEMBL1078874 0.83 PRKCQ (0.49) ALKPLK1MAPK1CDC7PLK4
SCHEMBL375534 0.80 ZAP70 (0.65) ALKPLK1MAPK1CDC7PLK4
SCHEMBL6151152 0.80 ZAP70 (0.66) ALKIGF1RPTK2ZAP70MAPT
SCHEMBL5291264 0.75 ZAP70 (0.47) ALKPLK1MAPK1CDC7PLK4
SCHEMBL5284498 0.73 MAP4K1 (0.45) ALKPLK1MAPK1CDC7PLK4
SCHEMBL14735829 0.70 ALK (0.54) ALKINSRMETAXLAURKB
SCHEMBL28438709 0.68 MAPT (0.52) ALKPLK1MAPK1CDC7PLK4
SCHEMBL28896784 0.68 PLK1 (0.47) ALKPLK1MAPK1CDC7PLK4
SCHEMBL5408522 0.68 LRRK2 (0.65) ALKPLK1MAPK1CDC7PLK4
SCHEMBL382126 0.67 EGFR (0.70) 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-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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