SCHEMBL26345338

SCHEMBL26345338

CC(C)n1c(=O)nc(NCc2ccc3c(c2)CC3)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 13/20 0.40
▸ PDE2A O00408 1/20 0.40
▸ RECQL P46063 1/20 0.36
▸ FABP4 P15090 2/20 0.36
▸ P2RX3 P56373 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ LMNA P02545 1/20 0.34

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
SCHEMBL26345453 0.97 PDE2A (0.43) PDE9APDE2ARECQLP2RX3HPGD
SCHEMBL26344131 0.95 PDE2A (0.45) PDE9APDE2AP2RX3HPGDLMNA
SCHEMBL26344125 0.85 PDE9A (0.45) PDE9APDE2AP2RX3LMNA
SCHEMBL26983383 0.84 P2RX3 (0.37) PDE2AP2RX3LMNA
SCHEMBL26344117 0.78 CYP3A4 (0.40) PDE9APDE2AP2RX3LMNA
SCHEMBL27142843 0.78 CYP3A4 (0.40) PDE9APDE2AP2RX3LMNA
SCHEMBL29588283 0.78 CYP3A4 (0.40) PDE9APDE2AP2RX3LMNA
SCHEMBL31363880 0.76 PARP1 (0.40) PDE9APDE2AP2RX3LMNA
SCHEMBL26344141 0.76 PARP1 (0.40) PDE9APDE2AP2RX3LMNA
SCHEMBL31364035 0.74 CYP3A4 (0.39) PDE9APDE2AP2RX3LMNA

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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