SCHEMBL23912807

SCHEMBL23912807

Cc1c(Br)cnc(Cl)c1NSc1ccc(C#N)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.41
▸ KMT2A Q03164 4/20 0.38
▸ PIK3C3 Q8NEB9 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PPARG P37231 1/20 0.33
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31
▸ GRM5 P41594 1/20 0.31

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
SCHEMBL16926832 0.83 MAOB (0.36) ARPIK3C3
SCHEMBL23912714 0.79 PIK3C3 (0.36) KMT2APIK3C3MEN1L3MBTL1
SCHEMBL23912723 0.77 HPGD (0.33) PIK3C3
SCHEMBL16926833 0.76 PIK3C3 (0.59) PIK3C3PPARGCYP3A4
SCHEMBL23912819 0.75 PIK3C3 (0.34) PIK3C3
SCHEMBL23912815 0.75 PIK3C3 (0.34) PIK3C3
SCHEMBL16996869 0.70 PIK3C3 (0.56) PIK3C3
SCHEMBL16913924 0.64 PIK3C3 (0.39) PIK3C3
SCHEMBL4410595 0.64 AR (0.58) ARKMT2AMEN1L3MBTL1CYP1A2
SCHEMBL22695577 0.63 ALDH1A1 (0.30) —

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
EP-3094325-B1 HETEROARYLS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2021-10-13 — — EP disclosed
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