SCHEMBL31491377

SCHEMBL31491377

COC(=O)COc1ccc(Nc2nc(Cl)nc3c2[S@+]([O-])CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.47
▸ TP53 P04637 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PTGS2 P35354 1/20 0.39
▸ JAK2 O60674 1/20 0.37
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ POLB P06746 3/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ JAK3 P52333 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 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
SCHEMBL30785597 0.79 MAPT (0.43) SYKTP53MAPTPOLBMEN1
SCHEMBL31572369 0.79 PDE4B (0.40) SYKMAPTPOLBMEN1KMT2A
SCHEMBL31083964 0.75 LMNA (0.47) TP53GAAMAPTPOLBMEN1
SCHEMBL22734109 0.74 EGFR (0.43) SYKGAAMAPTMEN1KMT2A
SCHEMBL17827716 0.72 SYK (0.57) SYKTP53GAAMAPTPTGS2
SCHEMBL31491292 0.72 PDE4B (0.53) —
SCHEMBL18869373 0.71 SYK (0.56) SYKTP53GAAMAPTPTGS2
SCHEMBL16245594 0.71 PIN1 (0.60) SYKTP53GAAMAPTPTGS2
SCHEMBL31491366 0.69 KIF11 (0.39) SYKMAPTMEN1KMT2AALDH1A1
SCHEMBL31491357 0.68 CA1 (0.36) —

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
WO-2025067168-A1 AZA FUSED RING COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 苏州爱科百发生物医药技术有限公司 2025-04-03 — — WO disclosed
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