SCHEMBL23912819

SCHEMBL23912819

Cc1c(Br)cnc(Cl)c1NSc1ccc(Cl)cc1F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PIK3C3 Q8NEB9 1/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TRPM5 Q9NZQ8 1/20 0.31
▸ CCR2 P41597 1/20 0.31
▸ NUDT1 P36639 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL23912815 0.90 PIK3C3 (0.34) PIK3C3NPC1
SCHEMBL23912723 0.85 HPGD (0.33) PIK3C3HPGD
SCHEMBL23912714 0.77 PIK3C3 (0.36) PIK3C3NPC1RAB9ASMN1; SMN2
SCHEMBL23912736 0.77 PIK3C3 (0.32) PIK3C3NPC1
SCHEMBL23912821 0.75 PIK3C3 (0.36) PIK3C3
SCHEMBL23912807 0.75 AR (0.41) PIK3C3
SCHEMBL16926599 0.74 PIK3C3 (0.57) PIK3C3CCR2
SCHEMBL23912725 0.73 S1PR3 (0.34) PIK3C3NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL16926832 0.68 MAOB (0.36) PIK3C3
SCHEMBL23912816 0.68 PIK3C3 (0.49) PIK3C3

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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