SCHEMBL31491366

SCHEMBL31491366

O=c1ccc2ccc(Nc3nc(Cl)nc4c3[S@+]([O-])CC4)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.39
▸ MAPK1 P28482 1/20 0.32
▸ F11 P03951 1/20 0.32
▸ SYK P43405 1/20 0.30
▸ MAPT P10636 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ THRB P10828 1/20 0.30

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
SCHEMBL31491301 0.80 SCN9A (0.34) KIF11MEN1KMT2A
SCHEMBL590096 0.77 KMT2A (0.41) SYKMEN1KMT2ATHRB
SCHEMBL31491328 0.76 KIF11 (0.41) KIF11MAPK1F11SYKMAPT
SCHEMBL31491357 0.75 CA1 (0.36) —
SCHEMBL4084776 0.75 NFKB1 (0.49) MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL4063171 0.75 KDR (0.40) MAPK1ALDH1A1HTTKMT2A
SCHEMBL22734109 0.72 EGFR (0.43) MAPK1SYKMAPTMEN1KMT2A
SCHEMBL31083964 0.72 LMNA (0.47) MAPK1MAPTMEN1ALDH1A1KMT2A
SCHEMBL31572369 0.70 PDE4B (0.40) SYKMAPTMEN1ALDH1A1KMT2A
SCHEMBL31491377 0.69 SYK (0.47) SYKMAPTMEN1ALDH1A1KMT2A

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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