SCHEMBL5291288

SCHEMBL5291288

COc1cc(OC2CCN(C)C(C)(C)C2(C)C)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)NCC(C)C)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 9/20 0.61
▸ ALK Q9UM73 12/20 0.51
▸ INSR P06213 4/20 0.51
▸ IGF1R P08069 4/20 0.51
▸ ROS1 P08922 5/20 0.51
▸ EGFR P00533 2/20 0.51
▸ MET P08581 2/20 0.51
▸ BMPR1B O00238 1/20 0.51
▸ PLK4 O00444 1/20 0.51
▸ STK25 O00506 1/20 0.51
▸ RIOK3 O14730 1/20 0.51
▸ CHEK1 O14757 1/20 0.51
▸ CASK O14936 1/20 0.51
▸ AURKA O14965 1/20 0.51
▸ GAK O14976 1/20 0.51
▸ DCLK1 O15075 1/20 0.51
▸ MUSK O15146 1/20 0.51
▸ EPHB6 O15197 1/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ MAP3K13 O43283 1/20 0.51

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
SCHEMBL4099825 0.87 ALK (0.68) ZAP70ALKINSRIGF1RROS1
SCHEMBL4089332 0.86 ZAP70 (0.58) ZAP70ALKINSRIGF1RROS1
SCHEMBL4099147 0.83 ZAP70 (0.71) ZAP70ALKINSRIGF1RROS1
SCHEMBL4103366 0.83 ZAP70 (0.71) ZAP70ALKINSRIGF1RROS1
SCHEMBL12892718 0.82 ALK (0.60) ZAP70ALKINSRIGF1RROS1
SCHEMBL4099900 0.81 EGFR (0.70) ZAP70ALKINSRIGF1RROS1
SCHEMBL13850478 0.80 ALK (0.74) ZAP70ALKINSRIGF1RROS1
SCHEMBL4089365 0.80 ALK (0.69) ZAP70ALKINSRIGF1RROS1
SCHEMBL12780216 0.79 ZAP70 (0.78) ZAP70ALKINSRIGF1RROS1
SCHEMBL12780186 0.79 ALK (0.62) ZAP70ALKINSR

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
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