SCHEMBL5990657

SCHEMBL5990657

Cc1ccc(-n2nc(C(C)(C)C)cc2N(C(N)=O)c2ccc(-c3cccc(N4CCOCC4)c3)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 3/20 0.46
ABL1 P00519 2/20 0.46
RAF1 P04049 2/20 0.46
LYN P07948 2/20 0.46
SRC P12931 2/20 0.46
MAPK14 Q16539 9/20 0.41
DDR2 Q16832 3/20 0.41
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
MAPK11 Q15759 3/20 0.41
CDK8 P49336 2/20 0.41
TNF P01375 2/20 0.41
CIT O14578 1/20 0.41
MUSK O15146 1/20 0.41
MAP3K7 O43318 1/20 0.41
RIPK2 O43353 1/20 0.41
STK10 O94804 1/20 0.41
MAP4K4 O95819 1/20 0.41
CHEK2 O96017 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL6686496 0.88 MAPK9 (0.52) MAPK9ABL1RAF1LYNSRC
SCHEMBL5989034 0.84 MAPK9 (0.55) MAPK9ABL1RAF1LYNSRC
SCHEMBL6685219 0.83 MAPK9 (0.50) MAPK9ABL1RAF1LYNSRC
SCHEMBL6452416 0.82 MAPK9 (0.51) MAPK9ABL1RAF1LYNSRC
SCHEMBL7602984 0.82 MAPK9 (0.68) MAPK9ABL1RAF1LYNSRC
SCHEMBL6690499 0.80 MAPK9 (0.48) MAPK9ABL1RAF1LYNSRC
SCHEMBL4091285 0.79 ABL1 (0.70) MAPK9ABL1RAF1LYNSRC
SCHEMBL5988430 0.79 MAPK9 (0.51) MAPK9ABL1RAF1LYNSRC
SCHEMBL5997447 0.79 MAPK9 (0.43) MAPK9ABL1RAF1LYNSRC
SCHEMBL17237755 0.78 MAPK14 (0.67) MAPK9ABL1RAF1LYNSRC

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-1658060-A2 METHODS OF TREATING COPD AND PULMONARY HYPERTENSION BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-05-24 EP claimed
WO-2005018624-A2 METHODS OF TREATING COPD AND PULMONARY HYPERTENSION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-03-03 WO claimed