SCHEMBL5286983

SCHEMBL5286983

CCCc1c(C)ccc(S(N)(=O)=O)c1Nc1nc(Nc2ccc(N3CCOCC3)cc2OC)ncc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 13/20 0.64
INSR P06213 7/20 0.64
ZAP70 P43403 3/20 0.62
LRRK2 Q5S007 3/20 0.60
EGFR P00533 2/20 0.60
MAPK8 P45983 2/20 0.57
MAPK9 P45984 2/20 0.57
MAPK10 P53779 2/20 0.57
IGF1R P08069 2/20 0.56
CDC7 O00311 1/20 0.55
PLK4 O00444 1/20 0.55
CHEK1 O14757 1/20 0.55
AURKA O14965 1/20 0.55
DCLK1 O15075 1/20 0.55
PDPK1 O15530 1/20 0.55
DAPK3 O43293 1/20 0.55
DYRK3 O43781 1/20 0.55
JAK2 O60674 1/20 0.55
PRKD3 O94806 1/20 0.55
PAK4 O96013 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
SCHEMBL382126 0.78 EGFR (0.70) ALKINSRZAP70EGFRIGF1R
SCHEMBL1080877 0.77 ULK1 (0.65) ALKINSRZAP70LRRK2EGFR
SCHEMBL18650996 0.77 ALK (0.85) ALKINSRZAP70LRRK2EGFR
SCHEMBL12311873 0.76 LRRK2 (1.00) ALKINSRZAP70LRRK2EGFR
SCHEMBL4106591 0.76 ZAP70 (0.77) ALKINSRZAP70LRRK2EGFR
SCHEMBL4100983 0.75 ZAP70 (0.79) ALKINSRZAP70LRRK2EGFR
SCHEMBL12780145 0.75 ZAP70 (0.85) ALKINSRZAP70LRRK2EGFR
SCHEMBL28447693 0.75 ALK (0.85) ALKINSRZAP70LRRK2EGFR
SCHEMBL29429981 0.75 EGFR (1.00) ALKINSRZAP70LRRK2EGFR
SCHEMBL1460537 0.75 EGFR (1.00) ALKINSRZAP70LRRK2EGFR

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-1784392-A2 PYRIMIDINE DERIVATIVES Novartis AG (CH) 2007-05-16 EP disclosed
WO-2006021454-A2 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2006-03-02 WO disclosed