SCHEMBL29131923

SCHEMBL29131923

CC(C)(C)OC(=O)N1CCCC(Oc2nnc(-c3ccc(Cl)cc3O)c3ccccc23)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.42
CHEK2 O96017 1/20 0.42
ANO1 Q5XXA6 2/20 0.41
PIK3CA P42336 2/20 0.40
PIK3CB P42338 2/20 0.40
PIK3CG P48736 2/20 0.40
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
USP30 Q70CQ3 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39

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
SCHEMBL29131921 1.00 PIK3CD (0.42) PIK3CDCHEK2ANO1PIK3CAPIK3CB
SCHEMBL28934423 0.90 PIK3CD (0.46) PIK3CDCHEK2PIK3CAPIK3CBPIK3CG
SCHEMBL28934426 0.90 PIK3CD (0.46) PIK3CDCHEK2PIK3CAPIK3CBPIK3CG
SCHEMBL29276175 0.84 PIK3CD (0.46) PIK3CDCHEK2PIK3CAPIK3CBPIK3CG
SCHEMBL29276170 0.84 PIK3CD (0.46) PIK3CDCHEK2PIK3CAPIK3CBPIK3CG
SCHEMBL30624669 0.84 IL1B (0.51)
SCHEMBL29131879 0.84 IL1B (0.51)
SCHEMBL29131884 0.84 IL1B (0.51)
SCHEMBL21221766 0.79 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGUSP30
SCHEMBL28963149 0.78 HCRTR1 (0.43) PIK3CDPBRM1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969920-A Fused pyridazine derivative, preparation method and medical application thereof 上海辉启生物医药科技有限公司 2023-10-31 CN disclosed