SCHEMBL29664729

SCHEMBL29664729

COc1cc2[nH]ncc2cc1C(=O)Nc1cnn2cccnc12

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 10/20 0.79
JAK2 O60674 10/20 0.72
JAK1 P23458 10/20 0.72
TYK2 P29597 5/20 0.72
JAK3 P52333 5/20 0.72
IRAK1 P51617 1/20 0.55

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
SCHEMBL24511493 1.00 IRAK4 (0.79) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL29664917 0.96 IRAK4 (0.74) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL358806 0.89 IRAK4 (1.00) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL24511502 0.88 IRAK4 (0.67) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL29664772 0.87 IRAK4 (0.66) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL24511594 0.83 IRAK4 (0.59) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL21544129 0.82 JAK2 (0.78) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL23469982 0.78 IRAK4 (0.73) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL22836393 0.77 NPC1 (0.59) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL29690582 0.77 NPC1 (0.59) IRAK4JAK2JAK1TYK2JAK3

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-4259632-A1 N-(IMIDAZO[1,2-B]PYRIDAZIN-3-YL)-1-CYCLOHEXYL-2H-INDAZOLE-5-CARBOXAMIDE AND N-(PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-1-CYCLOHEXYL-2H-INDAZOLE-5-CARBOXAMIDE DERIVATIVES AS IRAK4 INHIBITORS FOR THE TREATMENT OF ASTHMA Astrazeneca AB (SE) 2023-10-18 EP disclosed
CN-116583285-A N- (imidazo [1,2-b ] pyridazin-3-yl) -1-cyclohexyl-2H-indazole-5-carboxamide and N- (pyrazolo [1,5-a ] pyrimidin-3-yl) -1-cyclohexyl-2H-indazole-5-carboxamide derivatives as IRAK4 inhibitors for the treatment of asthma 阿斯利康(瑞典)有限公司 2023-08-11 CN disclosed
WO-2022122876-A1 N-(IMIDAZO[1,2-B]PYRIDAZIN-3-YL)-1-CYCLOHEXYL-2H-INDAZOLE-5-CARBOXAMIDE AND N-(PYRAZOLO[1,5-A]PYRIMIDIN-3-YL)-1-CYCLOHEXYL-2H-INDAZOLE-5-CARBOXAMIDE DERIVATIVES AS IRAK4 INHIBITORS FOR THE TREATMENT OF ASTHMA ASTRAZENECA AB (SE) 2022-06-16 WO disclosed