SCHEMBL6690548

SCHEMBL6690548

COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2cnc3c(c2)NC(=O)C[S+]3[O-])c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.55
BRAF P15056 4/20 0.42
ABL1 P00519 1/20 0.42
EGFR P00533 1/20 0.42
RAF1 P04049 1/20 0.42
LYN P07948 1/20 0.42
EPHA2 P29317 1/20 0.42
EPHA3 P29320 1/20 0.42
AKT1 P31749 1/20 0.42
MAPK9 P45984 1/20 0.42
GSK3A P49840 7/20 0.42
HSP90AA1 P07900 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.37

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
SCHEMBL6662323 0.84 MAPK14 (0.57) MAPK14BRAFABL1EGFRRAF1
SCHEMBL2209864 0.84 MAPK14 (0.57) MAPK14BRAFABL1EGFRRAF1
SCHEMBL6668162 0.84 MAPK14 (0.59) MAPK14BRAFABL1EGFRRAF1
SCHEMBL6666073 0.83 MAPK14 (0.57) MAPK14BRAFABL1EGFRRAF1
SCHEMBL6669800 0.81 MAPK14 (0.56) MAPK14BRAFABL1EGFRRAF1
SCHEMBL2209397 0.80 MAPK14 (0.58) MAPK14BRAFABL1EGFRRAF1
SCHEMBL6642300 0.79 MAPK14 (0.59) MAPK14BRAFABL1EGFRRAF1
SCHEMBL6637015 0.79 MAPK14 (0.59) MAPK14BRAFABL1EGFRRAF1
SCHEMBL4091536 0.78 MAPK14 (0.64) MAPK14BRAFABL1EGFRRAF1
SCHEMBL4087852 0.78 MAPK14 (0.58) MAPK14BRAFABL1EGFRRAF1

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
US-6825184-B2 FOR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-11-30 US claimed
EP-1438048-A1 1,4-DISUBSTITUTED BENZO-FUSED UREA COMPOUNDS AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-07-21 EP claimed
WO-2003032989-A1 1,4-DISUBSTITUTED BENZO-FUSED UREA COMPOUNDS AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-04-24 WO claimed
US-6825184-B2 FOR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-11-30 US disclosed