SCHEMBL6978609

SCHEMBL6978609

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)c1cccc(OC2CCCN(C)CC2)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.68
RAF1 P04049 2/20 0.49
BRAF P15056 2/20 0.49
CSF1R P07333 1/20 0.49
SMO Q99835 1/20 0.49
MAPK13 O15264 1/20 0.49
HSPB1 P04792 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49

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
SCHEMBL7856914 0.93 MAPK14 (0.70) MAPK14
SCHEMBL6979521 0.92 MAPK14 (0.58) MAPK14RAF1BRAFCSF1RSMO
SCHEMBL6976106 0.89 MAPK14 (0.60) MAPK14RAF1BRAFSMOMAPK13
SCHEMBL6476455 0.89 OPRK1 (0.61) MAPK14CSF1RSMO
SCHEMBL6975779 0.86 MAPK14 (0.58) MAPK14RAF1BRAFSMOMAPK13
SCHEMBL6974083 0.86 MAPK14 (0.59) MAPK14RAF1BRAFSMOMAPK13
SCHEMBL6973786 0.85 MAPK14 (0.57) MAPK14RAF1BRAFSMOMAPK13
SCHEMBL6969088 0.85 MAPK14 (0.61) MAPK14SMOMAPK13HSPB1MAPK12
SCHEMBL7809447 0.84 OPRK1 (0.56) MAPK14CSF1RSMO
SCHEMBL5897136 0.83 MAPK14 (0.75) 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 3 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