SCHEMBL29420795

SCHEMBL29420795

COc1cnc(-c2noc(=O)[nH]2)c(Nc2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.37
▸ JAK2 O60674 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ KDR P35968 2/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ PDGFRB P09619 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
SCHEMBL22932193 1.00 EPHX2 (0.37) EPHX2JAK2CYP3A4JAK1JAK3
SCHEMBL22931767 0.92 EPHX2 (0.37) EPHX2JAK2CYP3A4JAK1JAK3
SCHEMBL22932203 0.86 DHODH (0.40) EPHX2CYP3A4KDRDHODHFLT3
SCHEMBL29420796 0.86 DHODH (0.40) EPHX2CYP3A4KDRDHODHFLT3
SCHEMBL22932335 0.84 EGFR (0.42) EPHX2DHODHFLT3EGFR
SCHEMBL29420806 0.84 EGFR (0.42) EPHX2DHODHFLT3EGFR
SCHEMBL22931766 0.80 EPHX2 (0.45) EPHX2DHODHFLT3
SCHEMBL24755062 0.80 DHODH (0.40) EPHX2KDRDHODHFLT3EGFR
SCHEMBL22931770 0.78 FLT3 (0.41) EPHX2DHODHFLT3EGFR
SCHEMBL22931802 0.78 EPHX2 (0.45) EPHX2KDR

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
CN-114174291-A 1,2, 4-oxadiazol-5-one derivatives for the treatment of cancer 巴斯利尔药物国际股份公司 2022-03-11 — — CN claimed
EP-4003983-A1 1,2,4-OXADIAZOL-5-ONE DERIVATIVES FOR THE TREATMENT OF CANCER Basilea Pharmaceutica International AG (CH) 2022-06-01 — — EP disclosed
CN-114174291-A 1,2, 4-oxadiazol-5-one derivatives for the treatment of cancer 巴斯利尔药物国际股份公司 2022-03-11 — — CN disclosed
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