SCHEMBL12862487

SCHEMBL12862487

CCOc1cc(N2CCC(C(N)=O)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2S(C)(=O)=O)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ZAP70 P43403 7/20 0.77
▸ ALK Q9UM73 10/20 0.66
▸ INSR P06213 5/20 0.66
▸ IGF1R P08069 5/20 0.66
▸ EGFR P00533 5/20 0.59
▸ MAPK8 P45983 2/20 0.57
▸ MAPK9 P45984 2/20 0.57
▸ MAPK10 P53779 2/20 0.57
▸ BMPR1B O00238 1/20 0.57
▸ PLK4 O00444 1/20 0.57
▸ STK25 O00506 1/20 0.57
▸ RIOK3 O14730 1/20 0.57
▸ CHEK1 O14757 1/20 0.57
▸ CASK O14936 1/20 0.57
▸ AURKA O14965 1/20 0.57
▸ GAK O14976 1/20 0.57
▸ DCLK1 O15075 1/20 0.57
▸ MUSK O15146 1/20 0.57
▸ EPHB6 O15197 1/20 0.57
▸ PDPK1 O15530 1/20 0.57

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
SCHEMBL12781151 0.93 ZAP70 (0.75) ZAP70ALKINSRIGF1REGFR
SCHEMBL12780497 0.92 ZAP70 (0.74) ZAP70ALKINSRIGF1REGFR
SCHEMBL12781668 0.92 ZAP70 (0.91) ZAP70ALKINSRIGF1REGFR
SCHEMBL12780077 0.92 ZAP70 (0.74) ZAP70ALKINSRIGF1REGFR
SCHEMBL12780203 0.91 ZAP70 (0.72) ZAP70ALKINSRIGF1REGFR
SCHEMBL12780492 0.90 ZAP70 (0.71) ZAP70ALKINSRIGF1REGFR
SCHEMBL12781068 0.90 ZAP70 (0.71) ZAP70ALKINSRIGF1REGFR
SCHEMBL10209508 0.87 ZAP70 (0.69) ZAP70ALKINSRIGF1REGFR
SCHEMBL12780131 0.87 ZAP70 (1.00) ZAP70ALKINSRIGF1REGFR
SCHEMBL12728756 0.87 ZAP70 (0.66) ZAP70ALKINSRIGF1REGFR

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 1 patent. 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
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