SCHEMBL6974566

SCHEMBL6974566

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)c1cccc(N2CCNCC2)c1C

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.58
RAF1 P04049 7/20 0.53
BRAF P15056 7/20 0.53

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
SCHEMBL6978621 0.86 MAPK14 (0.66) MAPK14RAF1BRAF
SCHEMBL6979224 0.84 MAPK14 (0.62) MAPK14RAF1BRAF
SCHEMBL6974560 0.83 MAPK14 (0.60) MAPK14RAF1BRAF
SCHEMBL6969315 0.83 MAPK14 (0.60) MAPK14RAF1BRAF
SCHEMBL7600252 0.82 IDH2 (0.53) MAPK14RAF1BRAF
SCHEMBL7678484 0.82 MAPK14 (0.69) MAPK14RAF1BRAF
SCHEMBL6978611 0.81 MAPK14 (0.59) MAPK14RAF1BRAF
SCHEMBL5897136 0.81 MAPK14 (0.75) MAPK14RAF1BRAF
SCHEMBL6967922 0.80 MAPK14 (0.65) MAPK14RAF1BRAF
SCHEMBL6976106 0.80 MAPK14 (0.60) MAPK14RAF1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115707-B1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2003-11-12 EP claimed
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US claimed
EP-1115707-B1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2003-11-12 EP disclosed
US-6455520-B1 TUMOR NECROSIS FACTOR AND INTERLEUKIN INHIBITORS; ANTIINFLAMMATORY AGENTS, ANTIALLERGENS; BONE DISORDERS ASTRA ZENECA AB (SE) 2002-09-24 US disclosed