SCHEMBL6571676

SCHEMBL6571676

Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1-c1c(OCCC2CCCN2C)cccc1C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.47
RAF1 P04049 6/20 0.47
BRAF P15056 6/20 0.47
AURKA O14965 1/20 0.46
AURKB Q96GD4 1/20 0.46
SMO Q99835 1/20 0.45
OPRK1 P41145 1/20 0.43

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
SCHEMBL6486377 0.81 MAPK14 (0.63) MAPK14SMOOPRK1
SCHEMBL27497392 0.80 RAF1 (0.55) MAPK14RAF1BRAFAURKAAURKB
SCHEMBL27483070 0.80 RAF1 (0.55) MAPK14RAF1BRAFAURKAAURKB
SCHEMBL6570490 0.78 RAF1 (0.47) MAPK14RAF1BRAFOPRK1
SCHEMBL6572676 0.77 RAF1 (0.46) MAPK14RAF1BRAFOPRK1
SCHEMBL6570486 0.77 MAPK14 (0.51) MAPK14RAF1BRAFAURKAAURKB
SCHEMBL27531718 0.76 RAF1 (0.49) MAPK14RAF1BRAFAURKAAURKB
SCHEMBL27554443 0.76 RAF1 (0.50) MAPK14RAF1BRAFAURKAAURKB
SCHEMBL7805580 0.75 MAPK14 (0.56) MAPK14SMOOPRK1
SCHEMBL6570474 0.75 MAPK14 (0.49) MAPK14RAF1BRAFAURKAAURKB

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-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP claimed
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP disclosed