SCHEMBL5748234

SCHEMBL5748234

c1ccc(-c2ncn(C3CC3)c2-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.60
MAPK13 O15264 3/20 0.60
MAPK12 P53778 3/20 0.60
MAPK11 Q15759 3/20 0.60
NSD3 Q9BZ95 1/20 0.47
PTGS2 P35354 2/20 0.46
TSHR P16473 1/20 0.44
TGFBR1 P36897 1/20 0.43
BRD4 O60885 1/20 0.43
EGFR P00533 1/20 0.42
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
KCNH2 Q12809 1/20 0.42
LMNA P02545 1/20 0.42
ADRA2C P18825 1/20 0.41
ADRA1D P25100 1/20 0.41
HRH1 P35367 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TMEM97 Q5BJF2 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
SCHEMBL27984882 0.79 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL11417661 0.77 NPC1 (0.46) MAPK14MAPK13MAPK12MAPK11NSD3
SCHEMBL4910253 0.76 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL1639811 0.74 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL5574792 0.74 NSD3 (0.55) NSD3PTGS2TSHRCSNK1DLMNA
SCHEMBL16986283 0.73 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11NSD3
SCHEMBL1640842 0.72 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11BRD4
SCHEMBL19864314 0.72 MAPK14 (0.90) MAPK14MAPK13MAPK12MAPK11TGFBR1
SCHEMBL9842956 0.71 NSD3 (0.51) NSD3PTGS2TSHRCSNK1DLMNA
SCHEMBL1009513 0.71 NSD3 (0.83) MAPK14NSD3PTGS2TSHRTGFBR1

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
EP-1537112-B1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
EP-1537112-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY Astrazeneca AB (SE) 2005-06-08 EP disclosed
WO-2004013141-A1 CONDENSED PYRIDINES AND PYRIMIDINES WITH TIE2 (TEK) ACTIVITY ASTRAZENECA AB (SE) 2004-02-12 WO disclosed