SCHEMBL26345271

SCHEMBL26345271

CC(C)n1c(=O)nc(NCc2cc(C3CC3)ccc2F)[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 1/20 0.36
▸ PDE9A O76083 6/20 0.35
▸ PGR P06401 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TLR9 Q9NR96 5/20 0.32
▸ TLR8 Q9NR97 5/20 0.32
▸ TLR7 Q9NYK1 5/20 0.32
▸ PDE2A O00408 3/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ CLPP Q16740 1/20 0.32

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
SCHEMBL26344164 0.84 MEN1 (0.39) PDE9APGRKDM4EPDE2AP2RX3
SCHEMBL26344898 0.83 MTOR (0.38) CASRPDE9APGRKDM4EP2RX3
SCHEMBL26344022 0.81 PDE9A (0.46) CASRPDE9APDE2A
SCHEMBL26344101 0.80 SCN1A (0.39) CASRPDE9APGRTLR9TLR8
SCHEMBL26344029 0.78 ACACB (0.39) PDE9APDE2AP2RX3
SCHEMBL26344153 0.75 P2RX3 (0.39) PDE9AKDM4EP2RX3
SCHEMBL26345510 0.74 PDE9A (0.34) PDE9AP2RX3
SCHEMBL26345338 0.70 PDE9A (0.40) PDE9APDE2AP2RX3
SCHEMBL26345453 0.69 PDE2A (0.43) PDE9APDE2AP2RX3
SCHEMBL11616050 0.66 ALDH1A1 (0.41) CASRKDM4E

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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