SCHEMBL29804167

SCHEMBL29804167

COC(=O)c1cc(C2CCOCC2)cnc1Oc1ccc(C#N)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.40
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
EGLN1 Q9GZT9 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 3/20 0.38
PDE4B Q07343 1/20 0.38
CHEK1 O14757 1/20 0.38
IL2 P60568 1/20 0.37
MAP4K1 Q92918 1/20 0.37
AXL P30530 1/20 0.37
MERTK Q12866 1/20 0.37
KDM1A O60341 1/20 0.37
TBK1 Q9UHD2 1/20 0.37
PDE10A Q9Y233 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
SCHEMBL24684276 1.00 MALT1 (0.40) MALT1USP2MAPTEGLN1SMN1; SMN2
SCHEMBL24684257 0.91 XDH (0.41) MALT1USP2MAPTEGLN1AR
SCHEMBL29804281 0.91 XDH (0.41) MALT1USP2MAPTEGLN1AR
SCHEMBL29804143 0.82 MAPT (0.44) MALT1MAPTSMN1; SMN2PDE4BAXL
SCHEMBL24684269 0.82 MAPT (0.44) MALT1MAPTSMN1; SMN2PDE4BAXL
SCHEMBL29109937 0.82 LMNA (0.45) AXLMERTK
SCHEMBL24684261 0.80 ALDH1A1 (0.43) MALT1AXLMERTK
SCHEMBL29804499 0.80 ALDH1A1 (0.43) MALT1AXLMERTK
SCHEMBL24684252 0.79 AR (0.44) USP2MAPTSMN1; SMN2AR
SCHEMBL23356288 0.78 DHODH (0.42)

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-4304585-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2024-01-17 EP disclosed
CN-117062607-A Methyl substituted pyridine and pyridazine compounds, derivatives thereof and methods of use thereof 拉堤果生物医疗股份有限公司 2023-11-14 CN disclosed
WO-2022192487-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2022-09-15 WO disclosed