SCHEMBL5987723

SCHEMBL5987723

Cc1ccc(-n2nc(C(C)(C)C)cc2N(C(N)=O)c2ccc(C3=CC(NCCN(C)C)CCC3)c3ccccc23)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.36
TNF P01375 1/20 0.36
RAF1 P04049 2/20 0.32
ABL1 P00519 1/20 0.32
LYN P07948 1/20 0.32
SRC P12931 1/20 0.32
MAPK9 P45984 1/20 0.32
BRAF P15056 1/20 0.31
CDK8 P49336 5/20 0.31
MAPK13 O15264 3/20 0.31
MAPK12 P53778 2/20 0.31
MAPK11 Q15759 2/20 0.31
CSNK1A1 P48729 2/20 0.31
RET P07949 2/20 0.30
PDGFRA P16234 2/20 0.30
GRK5 P34947 1/20 0.30
PRKX P51817 1/20 0.30
TYRO3 Q06418 1/20 0.30
PRKAA1 Q13131 1/20 0.30
ROCK1 Q13464 1/20 0.30

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
SCHEMBL6270455 0.92 MAPK14 (0.36) MAPK14TNFRAF1ABL1LYN
SCHEMBL5991513 0.89 TNF (0.35) MAPK14TNFRAF1ABL1LYN
SCHEMBL6274177 0.89 MAPK14 (0.35) MAPK14TNFRAF1BRAFCDK8
SCHEMBL4088478 0.85 MAPK14 (0.53) MAPK14TNFRAF1ABL1LYN
SCHEMBL6270980 0.84 MAPK14 (0.35) MAPK14TNFRAF1BRAFCDK8
SCHEMBL5988417 0.82 MAPK14 (0.34) MAPK14TNFRAF1BRAFCDK8
SCHEMBL5998813 0.82 MAPK14 (0.34) MAPK14TNFRAF1BRAFCDK8
SCHEMBL5989027 0.82 MAPK14 (0.33) MAPK14TNFCDK8MAPK13MAPK12
SCHEMBL5987486 0.81 TNF (0.34) MAPK14TNFCDK8
SCHEMBL5988889 0.79 TNF (0.33) MAPK14TNF

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 6 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
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
EP-1165516-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-01-02 EP disclosed
WO-2000055139-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed