SCHEMBL6576678

SCHEMBL6576678

Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCN2CCOCC2=O)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.67
TNF P01375 7/20 0.67
DDR2 Q16832 3/20 0.67
MAPK13 O15264 2/20 0.67
MAPK12 P53778 2/20 0.67
MAPK11 Q15759 2/20 0.67
CIT O14578 1/20 0.67
MUSK O15146 1/20 0.67
MAP3K7 O43318 1/20 0.67
RIPK2 O43353 1/20 0.67
STK10 O94804 1/20 0.67
MAP4K4 O95819 1/20 0.67
CHEK2 O96017 1/20 0.67
ABL1 P00519 1/20 0.67
EGFR P00533 1/20 0.67
RAF1 P04049 1/20 0.67
NTRK1 P04629 1/20 0.67
HSPB1 P04792 1/20 0.67
PRKCB P05771 1/20 0.67
LCK P06239 1/20 0.67

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
SCHEMBL5967557 0.91 TNF (0.80) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL6165712 0.89 MAPK14 (0.83) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL6576675 0.84 MAPK14 (0.56) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL13524366 0.83 MAPK14 (0.83) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL6689319 0.83 MAPK14 (0.80) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL6260168 0.82 TNF (0.67) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL6241653 0.82 TNF (0.65) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL4692478 0.81 TNF (0.74) MAPK14TNFDDR2MAPK13MAPK12
SCHEMBL6243534 0.80 MAPK14 (0.83) MAPK14TNFDDR2MAPK13MAPK12
Doramapimod SCHEMBL129721 0.80 MAPK14 (1.00) MAPK14TNFDDR2MAPK13MAPK12

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-1408950-A2 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-04-21 EP claimed
WO-2003005999-A2 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-01-23 WO claimed