SCHEMBL6969300

SCHEMBL6969300

Cc1ccc(NC(=O)c2ccc3ncccc3c2)cc1NC(=O)c1cccc(OCCN2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSF1 Q00613 2/20 0.60
BRAF P15056 2/20 0.58
PIR O00625 2/20 0.57
GSK3B P49841 1/20 0.57
CSF1R P07333 1/20 0.56
MAPK14 Q16539 7/20 0.54
SMO Q99835 1/20 0.54
HTR2A P28223 2/20 0.53
KCNH2 Q12809 1/20 0.53
KDR P35968 1/20 0.51
AURKB Q96GD4 1/20 0.49
EPHX2 P34913 1/20 0.49
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL6972795 0.93 BRAF (0.61) HSF1BRAFPIRGSK3BCSF1R
SCHEMBL6974172 0.92 BRAF (0.60) HSF1BRAFPIRGSK3BCSF1R
SCHEMBL6487036 0.81 MAPK14 (0.66) HSF1BRAFPIRGSK3BMAPK14
SCHEMBL6971304 0.81 BRAF (0.65) HSF1BRAFCSF1RMAPK14SMO
SCHEMBL6979731 0.80 MAPK14 (0.69) HSF1BRAFCSF1RMAPK14SMO
SCHEMBL2976357 0.79 HSF1 (0.63) HSF1BRAFCSF1RMAPK14SMO
SCHEMBL16621178 0.78 HSF1 (0.90) HSF1BRAFPIRGSK3BMAPK14
SCHEMBL716373 0.78 ABL1 (0.63) BRAFCSF1RMAPK14KDR
SCHEMBL6979265 0.78 BRAF (0.77) HSF1BRAFCSF1RMAPK14SMO
SCHEMBL5897251 0.78 BRAF (0.76) HSF1BRAFCSF1RMAPK14SMO

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 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