SCHEMBL5765754

SCHEMBL5765754

CC(C)Cc1nnc2ccc(Sc3ccccc3)cn12

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.43
SLC6A4 P31645 1/20 0.41
MET P08581 2/20 0.36
MAPK13 O15264 1/20 0.36
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
VCP P55072 1/20 0.33
NOTUM Q6P988 1/20 0.33

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
SCHEMBL5766110 0.88 MAPK14 (0.47) MAPK14MAPK13KDM4EALDH1A1NOTUM
SCHEMBL4823102 0.78 MAPK14 (0.59) MAPK14
SCHEMBL3094110 0.73 MAPK14 (0.48) MAPK14METKDM4EALDH1A1
SCHEMBL20579237 0.73 MAPK14 (0.61) MAPK14MAPK13
SCHEMBL23959346 0.72 KDM4E (0.65) MAPK14KDM4EALDH1A1
SCHEMBL5766791 0.72 MAPK14 (0.47) MAPK14KDM4E
SCHEMBL5765239 0.71 MAPK14 (0.53) MAPK14MAPK13NOTUM
SCHEMBL5765801 0.68 MAPK14 (0.39) MAPK14
SCHEMBL5765799 0.67 MAPK14 (0.52) MAPK14
SCHEMBL5764736 0.67 HSD11B1 (0.44) MAPK14ALDH1A1

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-7321040-B2 Triazolo-pyridines as anti-inflammatory compounds PFIZER INC. (US) 2008-01-22 US disclosed
US-7321040-B2 Triazolo-pyridines as anti-inflammatory compounds PFIZER INC. (US) 2008-01-22 US disclosed
EP-1601672-B1 TRIAZOLO-PYRIDINES AS ANTI-INFLAMMATORY COMPOUNDS PFIZER PROD INC (US) 2006-07-26 EP disclosed