SCHEMBL691024

SCHEMBL691024

CCC(C)c1cc(NC(=O)Oc2cc3cccc(CN4CCN(C(=O)[C@@H]5CCCN5C)CC4)c3n2C)c(OC)c(NS(C)(=O)=O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.34
EPHX2 P34913 1/20 0.33
LYN P07948 2/20 0.33
MAPK9 P45984 2/20 0.33
ACKR3 P25106 3/20 0.32
MAPK14 Q16539 3/20 0.32
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PIK3CD O00329 1/20 0.31
METAP2 P50579 1/20 0.31
RORC P51449 1/20 0.30
BRAF P15056 2/20 0.30
ABL1 P00519 1/20 0.30
EGFR P00533 1/20 0.30
RAF1 P04049 1/20 0.30
EPHA2 P29317 1/20 0.30
EPHA3 P29320 1/20 0.30
AKT1 P31749 1/20 0.30

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
SCHEMBL689461 0.94 DHODH (0.35) DHODHEPHX2LYNMAPK9ACKR3
SCHEMBL690848 0.92 DHODH (0.35) DHODHEPHX2LYNMAPK9ACKR3
SCHEMBL690054 0.91 EPHX2 (0.34) DHODHEPHX2LYNMAPK9ACKR3
SCHEMBL689084 0.89 LYN (0.36) DHODHEPHX2LYNMAPK9ACKR3
SCHEMBL690479 0.88 LYN (0.35) DHODHEPHX2LYNMAPK9ACKR3
SCHEMBL690671 0.88 MAPK14 (0.41) LYNMAPK9MAPK14BRAFABL1
SCHEMBL689923 0.88 MAPK14 (0.41) LYNMAPK9MAPK14BRAFABL1
SCHEMBL689830 0.86 DHODH (0.36) DHODHEPHX2LYNMAPK9ACKR3
SCHEMBL690068 0.85 MAPK14 (0.38) EPHX2LYNMAPK9MAPK14BRAF
SCHEMBL689216 0.84 LYN (0.37) EPHX2LYNMAPK9MAPK14BRAF

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 2 patents. 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
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 disclosed