SCHEMBL1376839

SCHEMBL1376839

CCCS(=O)(=O)c1ccccc1N(c1ncc(Cl)c(N)n1)c1ccc(N2CCC(N3CCCCC3)CC2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 4/20 0.47
▸ EGFR P00533 8/20 0.46
▸ ALK Q9UM73 10/20 0.44
▸ INSR P06213 6/20 0.44
▸ IGF1R P08069 6/20 0.44
▸ MET P08581 2/20 0.43
▸ BMPR1B O00238 1/20 0.42
▸ PLK4 O00444 1/20 0.42
▸ STK25 O00506 1/20 0.42
▸ RIOK3 O14730 1/20 0.42
▸ CHEK1 O14757 1/20 0.42
▸ CASK O14936 1/20 0.42
▸ AURKA O14965 1/20 0.42
▸ GAK O14976 1/20 0.42
▸ DCLK1 O15075 1/20 0.42
▸ MUSK O15146 1/20 0.42
▸ EPHB6 O15197 1/20 0.42
▸ PDPK1 O15530 1/20 0.42
▸ MAP3K13 O43283 1/20 0.42
▸ DAPK3 O43293 1/20 0.42

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
SCHEMBL21715308 0.83 ALK (0.60) ZAP70EGFRALKINSRIGF1R
SCHEMBL29015712 0.76 EGFR (0.49) ZAP70EGFRALKINSRIGF1R
SCHEMBL5768606 0.76 ZAP70 (0.77) ZAP70EGFRALKINSRIGF1R
SCHEMBL29015781 0.74 ALK (0.47) ZAP70EGFRALKINSRIGF1R
SCHEMBL375779 0.71 ZAP70 (0.54) ZAP70EGFRALKINSRIGF1R
SCHEMBL12780500 0.71 ZAP70 (0.70) ZAP70EGFRALKINSRIGF1R
SCHEMBL14857729 0.70 ALK (0.61) ZAP70EGFRALKINSRIGF1R
SCHEMBL26092640 0.69 INSR (0.84) ZAP70EGFRALKINSRIGF1R
SCHEMBL1061877 0.68 ALK (0.72) ZAP70EGFRALKINSRIGF1R
SCHEMBL12728763 0.68 ZAP70 (0.64) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4796487-B2 — — 2011-10-19 — — JP claimed
EP-1606265-A1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS Novartis AG (CH) 2005-12-21 — — EP claimed
WO-2004080980-A1 2, 4- DI (PHENYLAMINO) PYRIMIDINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS NOVARTIS AG (CH) 2004-09-23 — — WO claimed
Send feedback