SCHEMBL13844978

SCHEMBL13844978

CCCCn1c(N)c(NC(=O)Cc2ccc(NC(=O)c3c[nH]cn3)cc2)c(=O)n(Cc2ccccc2F)c1=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PCK1 P35558 10/20 0.49
RORC P51449 2/20 0.38
THRB P10828 2/20 0.37
ADORA2B P29275 1/20 0.36
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL13844856 0.88 PCK1 (0.49) PCK1RORCTHRBADORA2BCNR2
SCHEMBL3986976 0.84 PCK1 (0.55) PCK1THRBCNR2MEN1KMT2A
Hydrochloric Acid SCHEMBL3983266 0.84 PCK1 (0.54) PCK1THRBCNR2MEN1KMT2A
SCHEMBL3986974 0.82 PCK1 (0.47) PCK1RORCTHRBCNR2MEN1
SCHEMBL4613426 0.80 PCK1 (0.63) PCK1RORC
SCHEMBL4615402 0.78 PCK1 (0.42) PCK1RORCMEN1KMT2A
SCHEMBL3981788 0.77 PKM (0.47) PCK1RORCADORA2BCNR2MEN1
SCHEMBL4613128 0.72 PCK1 (0.53) PCK1
SCHEMBL4616635 0.72 PCK1 (0.57) PCK1THRBMEN1KMT2A
SCHEMBL3980723 0.70 PCK1 (0.42) PCK1RORCTHRBMEN1KMT2A

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-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP disclosed