SCHEMBL28311692

SCHEMBL28311692

[O]Cc1ccnc2[nH]ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 3/20 0.53
AXL P30530 1/20 0.53
IKBKB O14920 4/20 0.47
CHUK O15111 4/20 0.47
AURKB Q96GD4 2/20 0.47
DAPK3 O43293 1/20 0.47
JAK2 O60674 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
IGF1R P08069 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
FLT1 P17948 1/20 0.47
LTK P29376 1/20 0.47
GRK5 P34947 1/20 0.47
KDR P35968 1/20 0.47
MAP2K2 P36507 1/20 0.47

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
SCHEMBL14534111 0.85 PRKCI (0.53) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL239630 0.85 NUDT1 (0.54) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL3088057 0.81 PRKCI (0.58) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL1748621 0.81 PRKCI (0.53) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL2602399 0.81 PRKCI (0.53) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL1752655 0.81 PRKCI (0.53) PRKCIAXLIKBKBCHUKAURKB
SCHEMBL28028674 0.80 PRKCI (0.49) PRKCIAXLIKBKBCHUKAURKB
Hydrochloric Acid SCHEMBL4973929 0.79 PRKCI (0.52) PRKCIAXLIKBKBCHUKAURKB
Hydrochloric Acid SCHEMBL31330471 0.79 PRKCI (0.56) PRKCIAXLIKBKBCHUKAURKB
Hydrochloric Acid SCHEMBL4978077 0.79 PRKCI (0.52) PRKCIAXLIKBKBCHUKAURKB

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
CN-110003169-A GPR40 receptor agonist, method for preparing same, and pharmaceutical composition containing same as active ingredient 株式会社LG化学 2019-07-12 CN disclosed