SCHEMBL6652702

SCHEMBL6652702

COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(CNC(=O)C3CCNCC3)nc2)c2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.64
ABL1 P00519 2/20 0.47
RAF1 P04049 2/20 0.47
LYN P07948 2/20 0.47
MAPK9 P45984 2/20 0.47
EGFR P00533 1/20 0.47
BRAF P15056 1/20 0.47
EPHA2 P29317 1/20 0.47
EPHA3 P29320 1/20 0.47
AKT1 P31749 1/20 0.47
STK17B O94768 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
GSK3A P49840 7/20 0.41
SRC P12931 4/20 0.40
MAPK1 P28482 1/20 0.40
PKM P14618 1/20 0.39

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
SCHEMBL6654026 0.92 MAPK14 (0.60) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092557 0.83 MAPK14 (0.68) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4087240 0.83 MAPK14 (0.73) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4082244 0.81 MAPK14 (0.69) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4085718 0.81 MAPK14 (0.80) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4092362 0.80 MAPK14 (0.72) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4081824 0.80 MAPK14 (0.84) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4082144 0.80 MAPK14 (0.65) MAPK14ABL1RAF1LYNMAPK9
SCHEMBL4088020 0.79 MAPK14 (0.75) MAPK14ABL1RAF1LYNMAPK9
Thiomorpholine SCHEMBL6621356 0.79 MAPK14 (0.58) MAPK14ABL1RAF1LYNMAPK9

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