SCHEMBL20289367

SCHEMBL20289367

CC(C)CC(O)c1ccc(CNC(=O)C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.42
▸ ANPEP P15144 2/20 0.41
▸ EPHX2 P34913 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ F2R P25116 1/20 0.38

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
SCHEMBL22591171 0.85 EPHX2 (0.42) HPGDEPHX2NR1H4MEN1RAB9A
SCHEMBL22591182 0.84 SMN1; SMN2 (0.42) HPGDANPEPEPHX2NR1H4MEN1
SCHEMBL20289749 0.80 EPHX2 (0.41) EPHX2NR1H4MEN1RAB9AKMT2A
Hydrochloric Acid SCHEMBL23235884 0.79 CA1 (0.42) HPGDEPHX2NR1H4MEN1RAB9A
SCHEMBL20270226 0.79 CNR1 (0.44) MEN1KMT2AALDH1A1LMNAHDAC6
SCHEMBL20270225 0.79 CNR1 (0.44) MEN1KMT2AALDH1A1LMNAHDAC6
SCHEMBL22591172 0.75 EPHX2 (0.41) HPGDEPHX2NR1H4MEN1RAB9A
SCHEMBL15013037 0.75 SMN1; SMN2 (0.56) HPGDEPHX2NR1H4MEN1RAB9A
SCHEMBL7850276 0.75 RIPK1 (0.49) HPGDEPHX2NR1H4RAB9ASMN1; SMN2
SCHEMBL28159444 0.74 CA1 (0.40) EPHX2NR1H4SMN1; SMN2HDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3763717-B1 PYRIDO[4,3-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS LILLY CO ELI (US) 2023-03-08 — — EP disclosed
EP-3763717-A1 PYRIDO[4,3-D][1,3]OXAZIN-2-ONE AND PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS ELI LILLY AND CO. (US) 2021-01-13 — — EP disclosed
EP-3555105-B1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS LILLY CO ELI (US) 2020-10-28 — — EP disclosed
WO-2018111707-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS ELI LILLY AND COMPANY (US) 2018-06-21 — — WO disclosed
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