SCHEMBL692574

SCHEMBL692574

COc1c(NC(C)=O)cc(C(C)(C)C)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 0.41
MAPK14 Q16539 9/20 0.40
SRC P12931 4/20 0.40
SYK P43405 4/20 0.40
RARG P13631 1/20 0.37
RXRA P19793 1/20 0.37
PPARG P37231 1/20 0.37
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK10 P53779 1/20 0.36
SCARB1 Q8WTV0 1/20 0.36

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
SCHEMBL16106403 0.89 GSK3A (0.43) GSK3AMAPK14SRCSYKRARG
SCHEMBL689916 0.86 ALDH1A1 (0.44) GSK3AMAPK14SRCSYKMAPT
SCHEMBL692947 0.85 HTT (0.42) GSK3AMAPK14SRCSYKMAPT
SCHEMBL721145 0.84 LMNA (0.44) GSK3AMAPK14SRCSYKHTT
SCHEMBL690623 0.83 RARG (0.41) GSK3ARARGRXRAPPARGMAPT
SCHEMBL690703 0.83 KDM4E (0.46) GSK3AMAPK14SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13935981 0.82 MAPK14 (0.41) GSK3AMAPK14MAPTTP53SMN1; SMN2
SCHEMBL690666 0.82 GSK3A (0.37) GSK3AMAPK14SRCSYKRARG
SCHEMBL19047534 0.81 MAPK14 (0.44) GSK3AMAPK14SRCSYKMAPT
SCHEMBL690060 0.81 MAPK14 (0.53) MAPK14SCARB1

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-2323980-B1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-02-29 EP claimed