SCHEMBL25857229

SCHEMBL25857229

Oc1nncc2ccncc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
MAPKAPK2 P49137 1/20 0.42
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
RAD52 P43351 1/20 0.39
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
ERN1 O75460 1/20 0.37
TNF P01375 1/20 0.35
MAPK10 P53779 1/20 0.35
LMNA P02545 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
MAOA P21397 3/20 0.33

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
SCHEMBL2952488 0.83 KDM4E (0.47) KDM4EMAPKAPK2HTTPOLBRAD52
SCHEMBL4439957 0.75 IMPDH2 (0.40) KDM4EMAPKAPK2HTTPOLBRAD52
SCHEMBL29560021 0.75 KDM4E (0.43) KDM4EMAPKAPK2HTTPOLBRAD52
SCHEMBL19153319 0.75 MAOA (0.37) KDM4EMAPKAPK2HTTPOLBRAD52
SCHEMBL30502555 0.75 MAOA (0.37) KDM4EMAPKAPK2HTTPOLBRAD52
SCHEMBL276690 0.74 CLK1 (0.44) KDM4EMAPKAPK2HTTPOLBRAD52
Phthalazinone SCHEMBL276919 0.74 NPC1 (0.52) KDM4ELMNACYP1A2CYP3A4CYP2D6
SCHEMBL3690210 0.73 EP300 (0.47) KDM4EMAPKAPK2POLBEP300KAT2B
Phthalazinone SCHEMBL11770591 0.72 KDM4E (0.53) KDM4ELMNACYP1A2CYP3A4CYP2D6
Bromide SCHEMBL3826333 0.72 CLK1 (0.43) KDM4EMAPKAPK2HTTPOLBRAD52

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4499638-A1 PYRIDO-[3,4-D]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 DERIVATIVES Ventus Therapeutics U.S., Inc. (US) 2025-02-05 EP disclosed
WO-2023183943-A1 PYRIDO-[3,4-D]PYRIDAZINE AMINE DERIVATIVES USEFUL AS NLRP3 DERIVATIVES VENTUS THERAPEUTICS U.S., INC. (US) 2023-09-28 WO disclosed
WO-2023131277-A1 NLRP3 INFLAMMASOME INHIBITOR AND USES THEREOF 药捷安康(南京)科技股份有限公司 2023-07-13 WO disclosed