SCHEMBL5987977

SCHEMBL5987977

Cc1ccc(-n2nc(C(C)(C)C)cc2N(C(N)=O)c2ccc(-c3ccc(Cc4ncc[nH]4)nc3)c3ccccc23)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 2/20 0.39
ABL1 P00519 1/20 0.39
LYN P07948 1/20 0.39
SRC P12931 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK14 Q16539 10/20 0.35
TNF P01375 1/20 0.35
PTK2 Q05397 2/20 0.32
MAPK12 P53778 4/20 0.31
BRAF P15056 2/20 0.31
CDK8 P49336 3/20 0.31
CSNK1A1 P48729 2/20 0.31
HCK P08631 1/20 0.30
CDK5 Q00535 1/20 0.30
MAPK13 O15264 1/20 0.30
MAPK11 Q15759 1/20 0.30
DDR2 Q16832 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
SCHEMBL6275274 0.88 RAF1 (0.40) RAF1ABL1LYNSRCMAPK9
SCHEMBL6689156 0.82 ABL1 (0.60) RAF1ABL1LYNSRCMAPK9
SCHEMBL6234408 0.81 SRC (0.60) RAF1ABL1LYNSRCMAPK9
SCHEMBL7602984 0.75 MAPK9 (0.68) RAF1ABL1LYNSRCMAPK9
SCHEMBL5987723 0.72 MAPK14 (0.36) RAF1ABL1LYNSRCMAPK9
SCHEMBL5988576 0.72 MAPK14 (0.53) RAF1ABL1LYNSRCMAPK9
SCHEMBL4086687 0.71 MAPK14 (0.53) RAF1ABL1LYNSRCMAPK9
SCHEMBL6270980 0.71 MAPK14 (0.35) RAF1MAPK14TNFMAPK12BRAF
SCHEMBL5998813 0.71 MAPK14 (0.34) RAF1MAPK14TNFMAPK12BRAF
SCHEMBL5988417 0.71 MAPK14 (0.34) RAF1MAPK14TNFMAPK12BRAF

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