SCHEMBL13258564

SCHEMBL13258564

CC1=C(NC(=O)[C@@H]2CCCN2)CC(c2ncc(-c3ccc4[nH]c([C@@H]5CCCN5)nc4c3)o2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.35
▸ GSK3B P49841 3/20 0.35
▸ DYRK1A Q13627 3/20 0.35
▸ WNT1 P04628 2/20 0.35
▸ SCN3A Q9NY46 3/20 0.34
▸ SCN9A Q15858 2/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ IKBKB O14920 2/20 0.34
▸ CHUK O15111 1/20 0.34
▸ PSMB8 P28062 2/20 0.33
▸ ATR Q13535 1/20 0.32
▸ 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

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
SCHEMBL13258563 0.85 SCN3A (0.35) DHODHGSK3BDYRK1AWNT1SCN3A
SCHEMBL10201809 0.82 PRCP (0.36) —
SCHEMBL10201551 0.80 GSK3B (0.35) DHODHGSK3BDYRK1AWNT1SCN3A
SCHEMBL12403439 0.78 SCN3A (0.47) DHODHGSK3BDYRK1AWNT1SCN3A
SCHEMBL12405016 0.78 DHODH (0.39) DHODHGSK3BDYRK1AWNT1SCN3A
SCHEMBL12406273 0.77 PTGES (0.38) DHODHGSK3BDYRK1AWNT1SCN3A
SCHEMBL12403437 0.76 DHODH (0.43) DHODHSCN3ASCN9AIKBKBCHUK
SCHEMBL10201555 0.76 DHODH (0.43) DHODHSCN3ASCN9AIKBKBCHUK
SCHEMBL12403445 0.75 SCN3A (0.37) DHODHGSK3BDYRK1AWNT1SCN3A
SCHEMBL10223087 0.73 PSMB8 (0.47) DHODHSCN3ASCN9ASCN10AIKBKB

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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