SCHEMBL26344101

SCHEMBL26344101

CC(C)n1c(=O)nc(N[C@@H](C)c2cc(C3CC3)ccc2F)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 1/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ IDH1 O75874 2/20 0.38
▸ CASR P41180 1/20 0.36
▸ PGR P06401 2/20 0.34
▸ PDE2A O00408 8/20 0.33
▸ SOS1 Q07889 3/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ PDE5A O76074 2/20 0.31
▸ PDE9A O76083 2/20 0.31
▸ PDE1B Q01064 2/20 0.31
▸ PDE8A O60658 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PDE7A Q13946 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31

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
SCHEMBL26344167 0.84 PGR (0.37) IDH1PGRPDE2ACYP3A4CYP2B6
SCHEMBL30459378 0.84 PGR (0.37) IDH1PGRPDE2ACYP3A4CYP2B6
SCHEMBL26345271 0.80 CASR (0.36) CASRPGRPDE2ATLR9TLR8
SCHEMBL26344032 0.78 ACACB (0.41) SCN1ASCN5ASCN8AIDH1SOS1
SCHEMBL29589397 0.78 ACACB (0.41) SCN1ASCN5ASCN8AIDH1SOS1
SCHEMBL29589354 0.78 ACACB (0.41) SCN1ASCN5ASCN8AIDH1SOS1
SCHEMBL26344040 0.78 ACACB (0.41) SCN1ASCN5ASCN8AIDH1SOS1
SCHEMBL26344024 0.78 ACACB (0.41) SCN1ASCN5ASCN8AIDH1SOS1
SCHEMBL29588123 0.75 P2RX3 (0.39) IDH1
SCHEMBL26344155 0.75 P2RX3 (0.39) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119638680-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 — — CN disclosed
CN-119638682-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 — — CN disclosed
CN-119638681-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2025-03-18 — — CN disclosed
CN-116323598-B Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-11-15 — — CN disclosed
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
CN-116323598-A Triazine diketone derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-06-23 — — CN disclosed
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