SCHEMBL26953143

SCHEMBL26953143

CC(C)(N)c1ccc(-c2ccnc3[nH]ccc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CIT O14578 5/20 0.62
IKBKB O14920 6/20 0.60
CHUK O15111 5/20 0.60
AURKB Q96GD4 3/20 0.60
ROCK1 Q13464 2/20 0.60
DAPK3 O43293 1/20 0.60
JAK2 O60674 1/20 0.60
PRKD3 O94806 1/20 0.60
MAP4K4 O95819 1/20 0.60
PAK4 O96013 1/20 0.60
CSF1R P07333 1/20 0.60
RET P07949 1/20 0.60
IGF1R P08069 1/20 0.60
FGFR1 P11362 1/20 0.60
PRKACA P17612 1/20 0.60
FLT1 P17948 1/20 0.60
LTK P29376 1/20 0.60
GRK5 P34947 1/20 0.60
KDR P35968 1/20 0.60
MAP2K2 P36507 1/20 0.60

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
SCHEMBL31735031 1.00 CIT (0.62) CITIKBKBCHUKAURKBROCK1
SCHEMBL857779 0.88 IKBKB (0.64) CITIKBKBCHUKAURKBROCK1
SCHEMBL858003 0.85 IKBKB (0.64) CITIKBKBCHUKAURKBROCK1
SCHEMBL26953047 0.83 IKBKB (0.57) CITIKBKBCHUKAURKBROCK1
SCHEMBL31735021 0.83 IKBKB (0.57) CITIKBKBCHUKAURKBROCK1
SCHEMBL26953023 0.81 NUDT1 (0.55) CITIKBKBCHUKAURKBROCK1
SCHEMBL30674332 0.80 IKBKB (0.70) CITIKBKBCHUKAURKBROCK1
SCHEMBL26930376 0.80 IKBKB (0.70) CITIKBKBCHUKAURKBROCK1
SCHEMBL4792517 0.80 IKBKB (0.70) CITIKBKBCHUKAURKBROCK1
SCHEMBL4790144 0.80 IKBKB (0.70) CITIKBKBCHUKAURKBROCK1

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-2023239727-A1 LATS INHIBITORS AND USES THEREOF THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2023-12-14 WO disclosed