SCHEMBL29804274

SCHEMBL29804274

COc1cc(C#N)ccc1Oc1ncc(C2=CCOCC2)cc1C(=O)Nc1cccc(S(C)(=N)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.45
PIK3R1 P27986 4/20 0.45
PIK3CA P42336 4/20 0.45
PIK3CB P42338 4/20 0.45
PIK3CG P48736 4/20 0.45
ALDH1A1 P00352 2/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.41
SCN10A Q9Y5Y9 2/20 0.38
SCN8A Q9UQD0 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL24682671 1.00 PIK3CD (0.45) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL29109955 0.94 PIK3CD (0.46) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL29804278 0.87 MAPT (0.43) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL24682672 0.87 MAPT (0.43) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL29804499 0.82 ALDH1A1 (0.43) ALDH1A1ATMLMNASCN10ASCN8A
SCHEMBL24684261 0.82 ALDH1A1 (0.43) ALDH1A1ATMLMNASCN10ASCN8A
SCHEMBL24682627 0.82 ALDH1A1 (0.49) ALDH1A1ATMLMNASCN10ASCN8A
SCHEMBL29804425 0.82 ALDH1A1 (0.49) ALDH1A1ATMLMNASCN10ASCN8A
SCHEMBL24684271 0.81 PIK3CD (0.46) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG
SCHEMBL29804264 0.81 PIK3CD (0.46) PIK3CDPIK3R1PIK3CAPIK3CBPIK3CG

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-4304585-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE Latigo Biotherapeutics, Inc. (US) 2024-01-17 EP 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