SCHEMBL6973537

SCHEMBL6973537

Cc1ccc(NC(=O)c2ccnc(N3CCCC3)c2)cc1NC(=O)c1cccc(CN2CCN(C)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.62
MAPK14 Q16539 7/20 0.56
KIT P10721 8/20 0.54
CSF1R P07333 7/20 0.54
BRAF P15056 5/20 0.51
EGFR P00533 3/20 0.51
ABL1 P00519 2/20 0.51
BCR P11274 2/20 0.51
DDR1 Q08345 2/20 0.51
PLK4 O00444 1/20 0.51
DDX3X O00571 1/20 0.51
GAK O14976 1/20 0.51
SLC22A2 O15244 1/20 0.51
MAPK13 O15264 1/20 0.51
CA12 O43570 1/20 0.51
SLC22A3 O75751 1/20 0.51
ABCB11 O95342 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL6979840 0.99 HPGDS (0.61) HPGDSMAPK14KITCSF1RBRAF
SCHEMBL6968243 0.93 MAPK14 (0.61) HPGDSMAPK14BRAFRAF1
SCHEMBL6980722 0.92 MAPK14 (0.65) HPGDSMAPK14BRAFRAF1
SCHEMBL6980380 0.91 HPGDS (0.56) HPGDSMAPK14KITCSF1RBRAF
SCHEMBL6972777 0.90 HPGDS (0.55) HPGDSMAPK14KITCSF1RBRAF
SCHEMBL6976381 0.89 HPGDS (0.54) HPGDSMAPK14KITCSF1RBRAF
SCHEMBL6973506 0.87 HPGDS (0.64) HPGDSMAPK14KITCSF1RBRAF
SCHEMBL7855408 0.85 MAPK14 (0.64) MAPK14KITDDR1
SCHEMBL6782706 0.85 HPGDS (0.75) HPGDSMAPK14KITCSF1RBRAF
SCHEMBL7681667 0.84 HPGDS (0.63) HPGDSMAPK14KITCSF1RBRAF

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