SCHEMBL30291111

SCHEMBL30291111

Oc1nccnc1-c1cn[nH]c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.41
AKT2 P31751 1/20 0.41
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
TPX2 Q9ULW0 1/20 0.37
PIM1 P11309 2/20 0.36
CHEK1 O14757 2/20 0.35
CHEK2 O96017 1/20 0.35
ABL1 P00519 1/20 0.35
GRM4 Q14833 2/20 0.35
GRM8 O00222 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK1 P28482 2/20 0.33
NTRK1 P04629 1/20 0.33
ERN1 O75460 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
ROCK2 O75116 1/20 0.33

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
SCHEMBL21834045 0.76 AKT2 (0.41) AKT1AKT2AURKAAURKBINCENP
SCHEMBL21193333 0.76 KCNH2 (0.41) AKT1AKT2AURKAAURKBINCENP
SCHEMBL19240310 0.76 AKT2 (0.41) AKT1AKT2AURKAAURKBINCENP
SCHEMBL23291933 0.76 ALDH1A1 (0.51) AKT1AKT2AURKAAURKBINCENP
SCHEMBL30557225 0.76 ALDH1A1 (0.51) AKT1AKT2AURKAAURKBINCENP
Hydrochloric Acid SCHEMBL32685351 0.74 ALDH1A1 (0.50) AKT1AKT2AURKAAURKBINCENP
Hydrochloric Acid SCHEMBL30557160 0.74 ALDH1A1 (0.50) AKT1AKT2AURKAAURKBINCENP
SCHEMBL30387828 0.73 LRRK2 (0.38) AKT1AKT2AURKAAURKBINCENP
SCHEMBL28988096 0.73 LRRK2 (0.38) AKT1AKT2AURKAAURKBINCENP
SCHEMBL19861999 0.72 MAPK8 (0.38) AKT1AKT2AURKAAURKBINCENP

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
EP-4146641-A1 SUBSTITUTED {5-METHOXY-6-[(5-METHOXYPYRIDIN-2-YL)METHOXY]PYRIDIN-3-YL}METHYL COMPOUNDS AS CSF-1R INHIBITORS Eli Lilly and Company (US) 2023-03-15 EP disclosed