SCHEMBL7779426

SCHEMBL7779426

Cc1ccc(Nc2cccc(N3CCOCC3)c2)cc1NC(=O)c1cccc(CN2CCN(C)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.58
HPGDS O60760 1/20 0.56
SMO Q99835 1/20 0.51
GLS O94925 2/20 0.51
WDR5 P61964 2/20 0.48
ABL1 P00519 1/20 0.47
KCNH2 Q12809 1/20 0.47
BRAF P15056 1/20 0.47

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
SCHEMBL6782251 0.93 MAPK14 (0.66) MAPK14HPGDSSMOGLSABL1
SCHEMBL2972329 0.92 MAPK14 (0.61) MAPK14HPGDSSMOGLSBRAF
SCHEMBL3262849 0.90 MAPK14 (0.58) MAPK14HPGDSSMOGLSBRAF
SCHEMBL27581172 0.89 MAPK14 (0.58) MAPK14HPGDSSMOABL1KCNH2
SCHEMBL7846789 0.88 MAPK14 (0.55) MAPK14HPGDSGLS
SCHEMBL7611262 0.87 HPGDS (0.68) MAPK14HPGDSGLSBRAF
SCHEMBL7780464 0.87 MAPK14 (0.65) MAPK14SMO
SCHEMBL7855875 0.85 MAPK14 (0.52) MAPK14GLSBRAF
SCHEMBL7606215 0.84 HPGDS (0.60) MAPK14HPGDSABL1BRAF
SCHEMBL7809438 0.83 MAPK14 (0.59) MAPK14SMO

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2001517620-A 2001-10-09 JP claimed
EP-1017378-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca UK Limited (GB) 2000-07-12 EP claimed
WO-1999015164-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ZENECA LIMITED (GB) 1999-04-01 WO claimed
EP-1017378-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca UK Limited (GB) 2000-07-12 EP disclosed
WO-1999015164-A1 AMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ZENECA LIMITED (GB) 1999-04-01 WO disclosed