SCHEMBL26344050

SCHEMBL26344050

CC(C)n1c(=O)nc(N[C@@H](C)c2cccc(OC3CCOC3)c2)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 6/20 0.52
▸ DUT P33316 7/20 0.51
▸ SOS1 Q07889 6/20 0.40
▸ ACACB O00763 1/20 0.37

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
SCHEMBL26344032 0.84 ACACB (0.41) IDH1DUTSOS1ACACB
SCHEMBL29589354 0.84 ACACB (0.41) IDH1DUTSOS1ACACB
SCHEMBL29589397 0.84 ACACB (0.41) IDH1DUTSOS1ACACB
SCHEMBL26344040 0.84 ACACB (0.41) IDH1DUTSOS1ACACB
SCHEMBL26344024 0.84 ACACB (0.41) IDH1DUTSOS1ACACB
SCHEMBL26344046 0.83 DUT (0.43) IDH1DUTACACB
SCHEMBL26344076 0.77 P2RX3 (0.45) IDH1DUTSOS1
SCHEMBL26344029 0.77 ACACB (0.39) IDH1DUTSOS1ACACB
SCHEMBL15247551 0.74 DUT (0.51) IDH1DUTSOS1ACACB
SCHEMBL26344061 0.73 P2RX3 (0.38) IDH1

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-4249474-A1 TRIAZINE DIONE DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-09-27 — — EP disclosed
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