SCHEMBL6974083

SCHEMBL6974083

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1NC(=O)c1cccc(OC2CCNC2)c1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.59
RAF1 P04049 6/20 0.53
BRAF P15056 6/20 0.53
SMO Q99835 1/20 0.50
MAPK13 O15264 1/20 0.50
HSPB1 P04792 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50

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
SCHEMBL6976106 0.95 MAPK14 (0.60) MAPK14RAF1BRAFSMOMAPK13
SCHEMBL7828018 0.93 MAPK14 (0.59) MAPK14RAF1BRAF
SCHEMBL6968599 0.92 MAPK14 (0.51) MAPK14RAF1BRAFSMO
SCHEMBL6484951 0.89 MAPK14 (0.60) MAPK14SMO
SCHEMBL6970752 0.88 MAPK14 (0.66) MAPK14RAF1BRAFSMOMAPK13
SCHEMBL6972715 0.88 MAPK14 (0.52) MAPK14RAF1BRAFSMO
SCHEMBL6978609 0.86 MAPK14 (0.68) MAPK14RAF1BRAFSMOMAPK13
SCHEMBL2971456 0.85 OPRK1 (0.57) MAPK14SMO
SCHEMBL6975779 0.84 MAPK14 (0.58) MAPK14RAF1BRAFSMOMAPK13
SCHEMBL6476258 0.84 OPRK1 (0.62) 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 6 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
EP-1115707-A1 BENZAMIDE DERIVATIVES AND THER USE AS CYTOKINE INHIBITORS AstraZeneca AB (SE) 2001-07-18 EP disclosed
WO-2000018738-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS CYTOKINE INHIBITORS ASTRAZENECA AB (SE) 2000-04-06 WO disclosed