SCHEMBL6674058

SCHEMBL6674058

COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(C[AsH]CCc3cccnc3)nc2)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.60
ABL1 P00519 1/20 0.45
EGFR P00533 1/20 0.45
RAF1 P04049 1/20 0.45
LYN P07948 1/20 0.45
BRAF P15056 1/20 0.45
EPHA2 P29317 1/20 0.45
EPHA3 P29320 1/20 0.45
AKT1 P31749 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK12 P53778 1/20 0.44
GSK3A P49840 8/20 0.42
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
SRC P12931 3/20 0.40
SYK P43405 2/20 0.40

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
SCHEMBL4082250 0.88 MAPK14 (0.61) MAPK14ABL1EGFRRAF1LYN
SCHEMBL4087240 0.82 MAPK14 (0.73) MAPK14ABL1EGFRRAF1LYN
SCHEMBL4086006 0.81 MAPK14 (0.56) MAPK14ABL1EGFRRAF1LYN
SCHEMBL4081981 0.79 MAPK14 (0.58) MAPK14ABL1EGFRRAF1LYN
SCHEMBL4081496 0.79 MAPK14 (0.58) MAPK14GSK3ASRCSYKAHR
SCHEMBL4086002 0.78 MAPK14 (0.57) MAPK14ABL1EGFRRAF1LYN
SCHEMBL4082162 0.77 MAPK14 (0.70) MAPK14ABL1EGFRRAF1LYN
SCHEMBL7684243 0.77 MAPK14 (0.58) MAPK14ABL1EGFRRAF1LYN
SCHEMBL4094268 0.76 MAPK14 (0.66) MAPK14ABL1EGFRRAF1LYN
SCHEMBL13527349 0.76 MAPK14 (0.85) MAPK14ABL1EGFRRAF1LYN

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427412-A1 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-06-16 EP disclosed
WO-2003022273-A1 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed