SCHEMBL29688382

SCHEMBL29688382

CCOc1c(C(C)C(=O)O)cc(Cl)c(C)c1N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
TSHR P16473 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 7/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
MAPT P10636 5/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
CASP6 P55212 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
DYRK1A Q13627 1/20 0.38
PIK3CA P42336 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
SCHEMBL20254816 1.00 PKM (0.42) PKMTSHRSMN1; SMN2GAAMAPK1
SCHEMBL29688354 0.86 PKM (0.41) PKMTSHRSMN1; SMN2GAAMAPK1
SCHEMBL20254625 0.86 PKM (0.41) PKMTSHRSMN1; SMN2GAAMAPK1
SCHEMBL20254710 0.85 SMN1; SMN2 (0.41) PKMTSHRSMN1; SMN2GAAMAPK1
SCHEMBL29688572 0.85 SMN1; SMN2 (0.41) PKMTSHRSMN1; SMN2GAAMAPK1
SCHEMBL29688577 0.81 ALDH1A1 (0.39) PKMTSHRSMN1; SMN2GAAMAPK1
SCHEMBL20255000 0.81 ALDH1A1 (0.39) PKMTSHRSMN1; SMN2GAAMAPK1
SCHEMBL20254958 0.81 PKM (0.47) PKMTSHRSMN1; SMN2GAAALDH1A1
SCHEMBL29688741 0.81 PKM (0.47) PKMTSHRSMN1; SMN2GAAALDH1A1
SCHEMBL29688636 0.80 PKM (0.37) PKMTSHRSMN1; SMN2GAAMAPK1

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-110267959-B Imidazo [1,5-A ] pyrazine derivatives as PI3K delta inhibitors 百济神州有限公司 2022-05-27 CN disclosed