SCHEMBL26344057

SCHEMBL26344057

Cc1ccc(Oc2cccc(CNc3nc(=O)n(C(C)C)c(=O)[nH]3)c2)cn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 7/20 0.47
▸ ALDH1A1 P00352 1/20 0.41
▸ P2RX3 P56373 8/20 0.39
▸ TLR7 Q9NYK1 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ FFAR1 O14842 1/20 0.37
▸ BRS3 P32247 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
SCHEMBL26344153 0.84 P2RX3 (0.39) PDE9AP2RX3
SCHEMBL26344061 0.82 P2RX3 (0.38) PDE9AP2RX3
SCHEMBL29588123 0.76 P2RX3 (0.39) P2RX3
SCHEMBL26344155 0.76 P2RX3 (0.39) P2RX3
SCHEMBL26344046 0.74 DUT (0.43) PDE9AP2RX3
SCHEMBL26345338 0.71 PDE9A (0.40) PDE9AP2RX3RECQL
SCHEMBL26345453 0.70 PDE2A (0.43) PDE9AALDH1A1P2RX3RECQL
SCHEMBL26344131 0.69 PDE2A (0.45) PDE9AALDH1A1P2RX3
SCHEMBL26344164 0.68 MEN1 (0.39) PDE9AALDH1A1P2RX3
SCHEMBL26344022 0.68 PDE9A (0.46) PDE9A

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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