SCHEMBL27689999

SCHEMBL27689999

NC(=O)c1cc(-c2ccsc2)cc2cc[nH]c12

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 14/20 0.66
▸ CHUK O15111 10/20 0.66
▸ PDPK1 O15530 1/20 0.48
▸ CDC7 O00311 1/20 0.43
▸ ACMSD Q8TDX5 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ AXL P30530 1/20 0.38

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
SCHEMBL3802579 0.80 IKBKB (1.00) IKBKBCHUKPDPK1
SCHEMBL27698212 0.78 CHEK1 (0.50) IKBKBCHUKPDPK1CDC7ACMSD
SCHEMBL4689422 0.78 IKBKB (0.97) IKBKBCHUKPDPK1
SCHEMBL4687705 0.77 IKBKB (0.78) IKBKBCHUKPDPK1CDC7ACMSD
SCHEMBL4685346 0.77 IKBKB (1.00) IKBKBCHUKPDPK1BTK
SCHEMBL4685618 0.77 IKBKB (0.74) IKBKBCHUKPDPK1CDC7
SCHEMBL27709861 0.77 IKBKB (0.64) IKBKBCHUKPDPK1CDC7BTK
SCHEMBL4690245 0.76 IKBKB (0.76) IKBKBCHUKPDPK1ALDH1A1
SCHEMBL4686157 0.76 IKBKB (0.76) IKBKBCHUKPDPK1CHEK2
SCHEMBL4687592 0.76 IKBKB (1.00) IKBKBCHUKPDPK1CDC7BTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101677547-A Indole carboxamides as the IKK2 inhibitor SMITHKLINE BEECHAM CORP 2010-03-24 — — CN disclosed
CN-101060842-A Chemical compounds GLAXO GROUP LTD (GB) 2007-10-24 — — CN disclosed
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