SCHEMBL5290384

SCHEMBL5290384

CCOc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c([AsH]c2ccccc2S(=O)(=O)NC(C)C)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 6/20 0.53
EGFR P00533 3/20 0.50
ALK Q9UM73 11/20 0.49
INSR P06213 7/20 0.49
IGF1R P08069 6/20 0.49
TNK2 Q07912 4/20 0.49
SRC P12931 3/20 0.49
FGFR1 P11362 2/20 0.49
FGFR2 P21802 2/20 0.49
FGFR4 P22455 2/20 0.49
FGFR3 P22607 2/20 0.49
JAK2 O60674 2/20 0.49
BMPR1B O00238 1/20 0.49
PLK4 O00444 1/20 0.49
STK25 O00506 1/20 0.49
RIOK3 O14730 1/20 0.49
CHEK1 O14757 1/20 0.49
CASK O14936 1/20 0.49
AURKA O14965 1/20 0.49
GAK O14976 1/20 0.49

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
SCHEMBL4099480 0.87 ZAP70 (0.68) ZAP70EGFRALKINSRIGF1R
SCHEMBL12729023 0.81 ZAP70 (0.71) ZAP70EGFRALKINSRIGF1R
SCHEMBL12780529 0.81 ALK (0.74) ZAP70EGFRALKINSRIGF1R
SCHEMBL381697 0.79 ZAP70 (0.76) ZAP70EGFRALKINSRIGF1R
SCHEMBL4089455 0.79 ALK (0.72) ZAP70EGFRALKINSRIGF1R
SCHEMBL4089491 0.79 ZAP70 (0.70) ZAP70EGFRALKINSRIGF1R
SCHEMBL1911961 0.78 EGFR (0.65) ZAP70EGFRALKINSRIGF1R
SCHEMBL10207615 0.78 ALK (0.61) ZAP70EGFRALKINSRIGF1R
SCHEMBL12729029 0.77 ZAP70 (0.75) ZAP70EGFRALKINSRIGF1R
SCHEMBL12892759 0.76 ZAP70 (0.69) ZAP70EGFRALKINSRIGF1R

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