SCHEMBL25584602

SCHEMBL25584602

Cc1cnccc1OC1CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 6/20 0.40
CHUK O15111 3/20 0.40
SSTR4 P31391 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
ROCK1 Q13464 2/20 0.37
LCK P06239 1/20 0.37
ROCK2 O75116 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
NAAA Q02083 1/20 0.35
PDE4A P27815 2/20 0.35
OPRL1 P41146 1/20 0.35
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL25584605 0.93 MKNK1 (0.41) IKBKBCHUKSSTR4CHRNB2CHRNA4
SCHEMBL8271735 0.88 IKBKB (0.55) IKBKBCHUKCHRNB2CHRNA4ROCK1
Hydrochloric Acid SCHEMBL4120289 0.87 IKBKB (0.53) IKBKBCHUKCHRNB2CHRNA4ROCK1
SCHEMBL14239774 0.86 IKBKB (0.50) IKBKBCHUKCHRNB2CHRNA4ROCK1
SCHEMBL23021681 0.85 CHRNB2 (0.47) IKBKBCHUKSSTR4CHRNB2CHRNA4
SCHEMBL4123852 0.81 IKBKB (0.50) IKBKBCHUKSSTR4GPR119
SCHEMBL22051458 0.77 IKBKB (0.50) IKBKBCHUKROCK1LCKROCK2
SCHEMBL22040965 0.77 IKBKB (0.40) IKBKBCHUKROCK1LCKROCK2
SCHEMBL31342868 0.77 IKBKB (0.40) IKBKBCHUKROCK1LCKROCK2
SCHEMBL22041246 0.77 IKBKB (0.38) IKBKBCHUKROCK1LCKROCK2

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-2023107547-A2 AZETIDINE AND SPIROAZETIDINE COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed