SCHEMBL689084

SCHEMBL689084

COc1c(NC(=O)Oc2cc3cccc(CN4CCN(C(=O)[C@@H]5CCCN5C)CC4)c3n2C)cc(C(F)(F)F)cc1NS(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LYN P07948 2/20 0.36
MAPK9 P45984 2/20 0.36
BRAF P15056 4/20 0.36
MAPK14 Q16539 5/20 0.36
ACKR3 P25106 2/20 0.35
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
RAF1 P04049 1/20 0.34
EPHA2 P29317 1/20 0.34
EPHA3 P29320 1/20 0.34
AKT1 P31749 1/20 0.34
SCARB1 Q8WTV0 2/20 0.34
EPHX2 P34913 1/20 0.34
WNT3 P56703 1/20 0.34
SFRP1 Q8N474 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL690479 0.95 LYN (0.35) LYNMAPK9BRAFMAPK14ACKR3
SCHEMBL689923 0.92 MAPK14 (0.41) LYNMAPK9BRAFMAPK14ABL1
SCHEMBL690671 0.92 MAPK14 (0.41) LYNMAPK9BRAFMAPK14ABL1
SCHEMBL689318 0.91 LYN (0.38) LYNMAPK9BRAFMAPK14ACKR3
SCHEMBL690015 0.91 ACKR3 (0.36) BRAFACKR3EPHX2ALDH1A1LMNA
SCHEMBL689461 0.90 DHODH (0.35) LYNMAPK9BRAFMAPK14ACKR3
SCHEMBL690068 0.90 MAPK14 (0.38) LYNMAPK9BRAFMAPK14ABL1
SCHEMBL690054 0.89 EPHX2 (0.34) LYNMAPK9BRAFMAPK14ACKR3
SCHEMBL691024 0.89 DHODH (0.34) LYNMAPK9BRAFMAPK14ACKR3
SCHEMBL690613 0.88 LYN (0.35) LYNMAPK9BRAFMAPK14ACKR3

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