SCHEMBL23712435

SCHEMBL23712435

CC1Oc2ncnc(N)c2N=C1c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 15/20 0.75
MAP4K4 O95819 3/20 0.39
TNK2 Q07912 2/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
DAPK3 O43293 1/20 0.39
JAK2 O60674 1/20 0.39
PRKD3 O94806 1/20 0.39
PAK4 O96013 1/20 0.39
ABL1 P00519 1/20 0.39
LCK P06239 1/20 0.39
RET P07949 1/20 0.39
MET P08581 1/20 0.39
PDGFRB P09619 1/20 0.39
PIM1 P11309 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
PRKACA P17612 1/20 0.39
FLT1 P17948 1/20 0.39
LTK P29376 1/20 0.39

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
SCHEMBL14379252 0.86 DGAT1 (1.00) DGAT1ESR1ESR2
SCHEMBL9769490 0.67 KDM4E (0.40) DGAT1ESR1ESR2
SCHEMBL7760470 0.67 KDM4E (0.40) DGAT1ESR1ESR2
SCHEMBL14379253 0.66 DGAT1 (0.74) DGAT1MAP4K4TNK2CHEK1AURKA
SCHEMBL4649359 0.57 PDE3B (0.71)
SCHEMBL1784311 0.56 HPGD (0.60) MAP4K4TNK2KDRGSK3B
SCHEMBL24756807 0.56 ALDH1A1 (0.50)
SCHEMBL23676541 0.55 HRH2 (0.37) CSNK1A1CLK4
SCHEMBL4006982 0.55 ALDH1A1 (0.40)
SCHEMBL18131123 0.55 KDM4E (0.48) MAP4K4TNK2DAPK3JAK2PRKD3

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-3366686-B9 INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE 1 (DGAT-1) AND USES THEREOF METABASIS THERAPEUTICS INC (US) 2021-08-04 EP disclosed