SCHEMBL13258563

SCHEMBL13258563

O=C(NC1=CCC(c2ncc(-c3ccc4[nH]c([C@@H]5CCCN5)nc4c3)o2)C=C1)[C@@H]1CCCN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 2/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ IKBKB O14920 2/20 0.34
▸ CHUK O15111 1/20 0.34
▸ GSK3B P49841 3/20 0.34
▸ DYRK1A Q13627 3/20 0.34
▸ WNT1 P04628 2/20 0.34
▸ DHODH Q02127 2/20 0.33
▸ PSMB8 P28062 2/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ JAK2 O60674 2/20 0.32
▸ PDGFRB P09619 2/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ KIT P10721 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ FLT1 P17948 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ TYK2 P29597 1/20 0.32
▸ FLT4 P35916 1/20 0.32

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
SCHEMBL13258564 0.85 DHODH (0.35) SCN3ASCN9AIKBKBCHUKGSK3B
SCHEMBL12403439 0.80 SCN3A (0.47) SCN3ASCN9AIKBKBCHUKGSK3B
SCHEMBL10201551 0.79 GSK3B (0.35) SCN3ASCN9AIKBKBCHUKGSK3B
SCHEMBL10201555 0.77 DHODH (0.43) SCN3ASCN9AIKBKBCHUKDHODH
SCHEMBL12403437 0.77 DHODH (0.43) SCN3ASCN9AIKBKBCHUKDHODH
SCHEMBL12403445 0.76 SCN3A (0.37) SCN3ASCN9AIKBKBCHUKGSK3B
SCHEMBL12405016 0.76 DHODH (0.39) SCN3ASCN9AIKBKBCHUKGSK3B
SCHEMBL12406273 0.76 PTGES (0.38) SCN3ASCN9AGSK3BDYRK1AWNT1
SCHEMBL20966403 0.72 PSMB8 (0.47) SCN3ASCN9AIKBKBCHUKDHODH
SCHEMBL10223087 0.72 PSMB8 (0.47) SCN3ASCN9AIKBKBCHUKDHODH

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-2010096302-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-26 — — WO disclosed
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