SCHEMBL5619598

SCHEMBL5619598

Cc1nc2cc(C(C)(C)C)cc(NC(=O)Nc3ccc(C#CCOC4CCCCO4)c4ccccc34)c2o1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 12/20 0.41
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
RAF1 P04049 1/20 0.35
LYN P07948 1/20 0.35
BRAF P15056 1/20 0.35
EPHA2 P29317 1/20 0.35
EPHA3 P29320 1/20 0.35
AKT1 P31749 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK14 Q16539 5/20 0.34
GCK P35557 1/20 0.34
GRM5 P41594 1/20 0.32
SRC P12931 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL14459367 0.86 GCK (0.33) MAPK14GCKGRM5
SCHEMBL5618849 0.83 MAPK14 (0.38) GSK3AABL1EGFRRAF1LYN
SCHEMBL6165074 0.79 MAPK14 (0.44) RAF1MAPK14GCKGRM5
SCHEMBL6574700 0.79 MAPK14 (0.36) ABL1EGFRRAF1LYNBRAF
SCHEMBL14459299 0.78 GCK (0.37) GCKGRM5
SCHEMBL297067 0.77 MAPK14 (0.55) ABL1EGFRRAF1LYNBRAF
SCHEMBL6163971 0.77 MAPK14 (0.51) RAF1MAPK14GCKGRM5
SCHEMBL6164680 0.77 MAPK14 (0.43) RAF1MAPK14GCK
SCHEMBL7707024 0.75 MAPK14 (0.39) ABL1EGFRRAF1LYNBRAF
SCHEMBL5619786 0.74 MAPK14 (0.32) GSK3AABL1EGFRRAF1LYN

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241758-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-7241758-B2 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-6492393-B1 SUCH AS 1-(5-TERT-BUTYL-2-METHOXYPHENYL)-3-(4-(2-METHOXY-PYRIDIN-4YL-OXY)-NAPHTHALEN-1-YL)-UREA; CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-12-10 US disclosed