SCHEMBL29664772

SCHEMBL29664772

COC(=O)c1cc2cn[nH]c2cc1OC1CC1.O=C(Nc1cnn2cccnc12)c1cc2cn[nH]c2cc1OC1CC1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 11/20 0.66
JAK2 O60674 8/20 0.59
JAK1 P23458 8/20 0.59
TYK2 P29597 4/20 0.59
JAK3 P52333 4/20 0.59
SYK P43405 4/20 0.53
IRAK1 P51617 1/20 0.53
LMNA P02545 1/20 0.49

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
SCHEMBL24511502 0.95 IRAK4 (0.67) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL29664917 0.91 IRAK4 (0.74) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL29664729 0.87 IRAK4 (0.79) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL24511493 0.87 IRAK4 (0.79) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL24511601 0.80 IRAK4 (0.58) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL358806 0.80 IRAK4 (1.00) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL24511588 0.80 IRAK4 (0.57) IRAK4JAK2JAK1TYK2JAK3
SCHEMBL29664846 0.79 MAPT (0.46) IRAK4LMNA
SCHEMBL24511648 0.79 MAPT (0.46) IRAK4LMNA
SCHEMBL24511711 0.74 IRAK4 (0.61) 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 2 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
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