SCHEMBL29364482

SCHEMBL29364482

CN(C)C=CC(=O)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.65
RECQL P46063 2/20 0.64
MAPT P10636 5/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
CYP1A2 P05177 5/20 0.58
CYP1A1 P04798 3/20 0.58
CYP1B1 Q16678 3/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
HPGD P15428 3/20 0.54
ALDH1A1 P00352 2/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 2/20 0.52
CYP2C19 P33261 2/20 0.51
RAB9A P51151 1/20 0.51
ALOX12 P18054 1/20 0.51
GPR52 Q9Y2T5 1/20 0.51

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
SCHEMBL1643 1.00 HTT (0.65) HTTRECQLMAPTKMT2AMEN1
SCHEMBL9486033 1.00 HTT (0.65) HTTRECQLMAPTKMT2AMEN1
SCHEMBL30269691 1.00 HTT (0.65) HTTRECQLMAPTKMT2AMEN1
SCHEMBL1218 1.00 HTT (0.65) HTTRECQLMAPTKMT2AMEN1
SCHEMBL6258932 0.94 HTT (0.58) HTTRECQLMAPTKMT2AMEN1
SCHEMBL16795470 0.94 HTT (0.58) HTTRECQLMAPTKMT2AMEN1
SCHEMBL7368742 0.83 MAPK1 (0.60) HTTMAPTKMT2AMEN1CYP1A2
SCHEMBL7368740 0.83 MAPK1 (0.60) HTTMAPTKMT2AMEN1CYP1A2
SCHEMBL10036804 0.81 CYP1A1 (0.63) MAPTKMT2AMEN1CYP1A2CYP1A1
SCHEMBL166048 0.81 CYP1A1 (0.63) MAPTKMT2AMEN1CYP1A2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025231152-A1 COMPOUNDS AND METHODS FOR RESTORING BETA-ADRENERGIC RECEPTOR FUNCTION THE CLEVELAND CLINIC FOUNDATION (US) 2025-11-06 WO disclosed
CN-119859377-A Polyacetal resin composition 旭化成株式会社 2025-04-22 CN disclosed
CN-117836596-A Temperature indicator manufacturing system and temperature indicator manufacturing method 株式会社日立产机系统 2024-04-05 CN disclosed
CN-110872279-B High-yield synthesis method of nilotinib 安徽峆一药业股份有限公司 2023-09-08 CN disclosed
CN-111542736-B Temperature detecting material and estimation system for temperature deviation time using the same 株式会社日立产机系统 2023-08-29 CN disclosed
EP-4045494-A1 SYNTHESIS OF 6-METHYL-N1-(4-(PYRIDIN-3-YL)PYRIMIDIN-2-YL)BENZENE-1,3-DIAMINE Esco Aster Pte. Ltd. (SG) 2022-08-24 EP disclosed
CN-114585615-A Synthesis of 6-methyl-N1- (4- (pyridin-3-yl) pyrimidin-2-yl) benzene-1, 3-diamine 新加坡艺思高艾斯特生物科技有限公司 2022-06-03 CN disclosed
CN-110114647-B Temperature detection material, manufacturing method thereof and application of temperature detection material 株式会社日立产机系统 2022-04-22 CN disclosed
CN-110078706-B Imatinib derivative and preparation method and application thereof 浙江师范大学 2022-02-01 CN disclosed