SCHEMBL2199773

SCHEMBL2199773

Clc1ncc(Nc2ccc(N3CCOCC3)cc2)c2ncnn12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK5 Q8IW41 2/20 0.50
CCNK O75909 1/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
CCND3 P30281 1/20 0.47
CDK9 P50750 1/20 0.47
CDK6 Q00534 1/20 0.47
AURKA O14965 2/20 0.46
AURKB Q96GD4 2/20 0.46
MAPT P10636 5/20 0.46
TSHR P16473 1/20 0.46
NR4A1 P22736 1/20 0.46
MAPKAPK2 P49137 1/20 0.45
MAPK10 P53779 3/20 0.44
SYK P43405 1/20 0.44
SLC2A1 P11166 1/20 0.43
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43
TTBK1 Q5TCY1 1/20 0.43
TTBK2 Q6IQ55 1/20 0.43

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
SCHEMBL1044232 0.84 AURKA (0.49) MAPKAPK5CCNKCCNA2CDK2CCND3
SCHEMBL1045288 0.75 KDM1A (0.52) MAPKAPK5CCNKCCNA2CDK2CCND3
SCHEMBL2199371 0.74 TTBK1 (0.47) MAPKAPK5SLC2A1TTBK1TTBK2
SCHEMBL1046703 0.74 MAPKAPK5 (0.75) MAPKAPK5AURKAAURKBMAPK10SYK
SCHEMBL1476085 0.73 MAPKAPK5 (0.64) MAPKAPK5AURKAMAPTTSHRNR4A1
SCHEMBL1045483 0.72 MAPKAPK5 (0.52) MAPKAPK5CCNKCCNA2CDK2CCND3
SCHEMBL1045300 0.71 KDM1A (0.43) MAPKAPK5CCNKCCNA2CDK2CCND3
SCHEMBL1048653 0.70 MAPKAPK5 (0.58) MAPKAPK5MAPK10MAPK8MAPK9
SCHEMBL7980595 0.70 MAPT (0.62) MAPTSYKTTBK1TTBK2MAPK1
SCHEMBL5027836 0.70 TBK1 (0.49) CCNKCCNA2CDK2CCND3CDK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977352-B2 Triazolopyridine compounds useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-07-12 US disclosed