SCHEMBL31662235

SCHEMBL31662235

Cn1ncc2cc(C(=O)NN)cc(Oc3ccc(OCCOC4CCOCC4)cc3)c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.39
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
GCK P35557 4/20 0.36
HPGDS O60760 2/20 0.35
SCN9A Q15858 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MAPK14 Q16539 1/20 0.34
REN P00797 2/20 0.33
WNT1 P04628 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
PDE4D Q08499 1/20 0.33
KCNH2 Q12809 1/20 0.33
CSF1R P07333 1/20 0.33
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33

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
SCHEMBL31662072 0.91 SCN9A (0.39) CD38SCN9AHRH3MAPK14PDE4D
SCHEMBL31662620 0.90 CD38 (0.40) CD38HPGDSHRH3MAPK14WNT1
SCHEMBL31662578 0.90 CD38 (0.37) CD38GCKHPGDSSCN9AHRH3
SCHEMBL31662508 0.90 CD38 (0.37) CD38BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL31662353 0.87 CD38 (0.35) CD38BMPR1BBMPR1ATGFBR1ACVRL1
SCHEMBL31662006 0.86 GCK (0.43) GCKHRH3KCNH2
SCHEMBL31662085 0.86 SCN9A (0.38) CD38GCKHPGDSSCN9AHRH3
SCHEMBL31661893 0.86 SCN9A (0.38) CD38GCKHPGDSSCN9AHRH3
SCHEMBL31662457 0.85 CD38 (0.34) CD38HRH3MAPK14KCNH2
SCHEMBL31662230 0.83 CD38 (0.34) CD38HRH3MAPK14KCNH2

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed