SCHEMBL18904136

SCHEMBL18904136

CCc1ccc(Nc2nc(-c3cnc4ccccn34)cs2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 15/20 0.77
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
KMT2A Q03164 1/20 0.51
IRAK4 Q9NWZ3 2/20 0.50
PRKD3 O94806 1/20 0.50
MAP4K4 O95819 1/20 0.50
PIM1 P11309 1/20 0.50
RPS6KB1 P23443 1/20 0.50
CDK2 P24941 1/20 0.50
FLT4 P35916 1/20 0.50

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
SCHEMBL18904137 0.88 PKM (0.82) PKMKDM4EALDH1A1LMNAGAA
SCHEMBL12881761 0.87 PKM (1.00) PKMKDM4EALDH1A1LMNAGAA
SCHEMBL12158236 0.85 PKM (1.00) PKMKDM4EALDH1A1LMNAGAA
SCHEMBL1684648 0.85 PKM (0.82) PKMKDM4EALDH1A1LMNAGAA
SCHEMBL5026658 0.85 PKM (0.82) PKMKDM4EALDH1A1LMNAGAA
SCHEMBL25349301 0.85 PKM (0.82) PKMKDM4EALDH1A1LMNAGAA
SCHEMBL5023468 0.85 PKM (0.82) PKMKDM4EALDH1A1LMNAGAA
SCHEMBL12158235 0.85 PKM (0.77) PKMALDH1A1LMNAGAAMAPT
Bromide SCHEMBL18040709 0.84 PKM (0.80) PKMKDM4EALDH1A1LMNAGAA
SCHEMBL12789925 0.84 PKM (0.66) PKMKDM4EALDH1A1LMNAGAA

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-1926719-B1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-05-31 EP disclosed