SCHEMBL24684271

SCHEMBL24684271

COC(=O)c1cc(C2=CCOCC2)cnc1Oc1ccc(C#N)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.46
PIK3CA P42336 11/20 0.46
PIK3CB P42338 11/20 0.46
PIK3CG P48736 11/20 0.46
PIK3R1 P27986 9/20 0.46
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AR P10275 1/20 0.36
CYP11B2 P19099 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
GCK P35557 1/20 0.36
CSF1R P07333 1/20 0.35
KIT P10721 1/20 0.35

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
SCHEMBL29804264 1.00 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL24682672 0.83 MAPT (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL29804278 0.83 MAPT (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL29109955 0.82 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL29804274 0.81 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL24682671 0.81 PIK3CD (0.45) PIK3CDPIK3CAPIK3CBPIK3CGPIK3R1
SCHEMBL24684276 0.77 MALT1 (0.40) USP2MAPTSMN1; SMN2AR
SCHEMBL29804167 0.77 MALT1 (0.40) USP2MAPTSMN1; SMN2AR
SCHEMBL24684252 0.77 AR (0.44) USP2MAPTSMN1; SMN2ARSCN8A
SCHEMBL24682665 0.74 KMT2A (0.43) SMN1; SMN2ARSCN8ASCN10A

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
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