SCHEMBL30940281

SCHEMBL30940281

Cc1ccc2oc(Br)c(C=O)c(=O)c2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.68
CSNK2A2 P19784 4/20 0.47
CSNK2B P67870 4/20 0.47
CSNK2A1 P68400 4/20 0.47
MAPK1 P28482 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 2/20 0.46
MAPT P10636 6/20 0.43
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 2/20 0.42
CYP3A4 P08684 2/20 0.42
TP53 P04637 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL29954496 0.81 ALPG (1.00) ALPGCSNK2A2CSNK2BCSNK2A1MAPK1
SCHEMBL1611070 0.75 ALPG (0.59) ALPGCSNK2A2CSNK2BCSNK2A1MAPK1
SCHEMBL19217398 0.73 CSNK2A2 (0.62) ALPGCSNK2A2CSNK2BCSNK2A1MAPK1
SCHEMBL21467921 0.72 CSNK2A2 (0.50) ALPGCSNK2A2CSNK2BCSNK2A1MAPK1
SCHEMBL3196866 0.72 CA2 (0.57) ALPGCSNK2A2CSNK2BCSNK2A1MAPK1
SCHEMBL29958053 0.72 NQO1 (0.61) ALPGCSNK2A2CSNK2BCSNK2A1MAPK1
SCHEMBL10436941 0.72 NQO1 (0.61) ALPGCSNK2A2CSNK2BCSNK2A1MAPK1
SCHEMBL6471096 0.70 ALPG (0.62) ALPGCSNK2A2CSNK2BCSNK2A1MAPK1
SCHEMBL2628177 0.70 CSNK2A2 (0.58) ALPGCSNK2A2CSNK2BCSNK2A1MAPK1
SCHEMBL8713331 0.70 PTPN1 (0.49) ALPGCSNK2A2CSNK2BCSNK2A1MAPK1

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-118359631-A Polycyclic PI3K alpha inhibitors 轩竹生物科技股份有限公司 2024-07-19 CN disclosed