SCHEMBL796214

SCHEMBL796214

COC(=O)c1ccc(N)cn1.COC(=O)c1ccc(NCC(F)(F)F)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.44
▸ P4HTM Q9NXG6 1/20 0.38
▸ BACE1 P56817 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ CFTR P13569 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ GABRP O00591 1/20 0.34
▸ GABRD O14764 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB1 P18505 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34

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
SCHEMBL795541 0.92 MAPK1 (0.51) MAPK1P4HTMBACE1KDM4EL3MBTL1
SCHEMBL721291 0.81 MAPK1 (0.65) MAPK1KDM4EL3MBTL1CFTRMAPT
SCHEMBL31359497 0.81 MAPK1 (0.65) MAPK1KDM4EL3MBTL1CFTRMAPT
Hydrochloric Acid SCHEMBL14125808 0.79 MAPK1 (0.62) MAPK1KDM4EL3MBTL1CFTRMAPT
SCHEMBL797424 0.77 P4HTM (0.60) MAPK1P4HTMKDM4EL3MBTL1
SCHEMBL1584750 0.73 MAPK1 (0.54) MAPK1P4HTMKDM4EL3MBTL1MAPT
SCHEMBL29260502 0.72 MAPK1 (0.61) MAPK1P4HTMKDM4EL3MBTL1JAK2
SCHEMBL6119180 0.72 MAPK1 (0.53) MAPK1P4HTMKDM4EL3MBTL1JAK2
SCHEMBL7942053 0.72 MAPK1 (0.53) MAPK1KDM4EL3MBTL1MAPT
SCHEMBL11387629 0.71 P4HTM (0.72) MAPK1P4HTMKDM4EMAPTMEN1

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-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 — — EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 — — WO disclosed
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