SCHEMBL29664834

SCHEMBL29664834

Ic1cc2cn[nH]c2cc1OC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.44
NOS1 P29475 5/20 0.42
CHEK1 O14757 1/20 0.41
TRPA1 O75762 4/20 0.38
TRPM8 Q7Z2W7 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
MKNK1 Q9BUB5 2/20 0.37
ROCK2 O75116 3/20 0.37
ROCK1 Q13464 2/20 0.37
CCR2 P41597 1/20 0.37
TYRO3 Q06418 1/20 0.37
MERTK Q12866 1/20 0.37
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
APAF1 O14727 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL24511678 1.00 AXL (0.44) AXLNOS1CHEK1TRPA1TRPM8
SCHEMBL24511488 0.81 AXL (0.64) AXLNOS1CHEK1TRPA1TRPM8
SCHEMBL24511685 0.81 AXL (0.47) AXLCHEK1TRPA1TRPM8TRPV1
SCHEMBL24511212 0.81 CHEK1 (0.58) AXLNOS1CHEK1TRPA1TRPM8
SCHEMBL1541999 0.78 AXL (0.65) AXLNOS1CHEK1TRPA1TRPM8
SCHEMBL24511680 0.76 AXL (0.43) AXLCHEK1MKNK1ROCK2ROCK1
SCHEMBL16741379 0.75 CHEK1 (0.54) AXLCHEK1TRPA1TRPM8TRPV1
SCHEMBL24511651 0.75 NOS1 (0.46) AXLNOS1CHEK1TRPA1TRPM8
SCHEMBL16741490 0.74 CHEK1 (0.53) AXLCHEK1TRPA1TRPM8TRPV1
SCHEMBL24511648 0.73 MAPT (0.46) AXLMKNK1ROCK2ROCK1KDM4E

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