SCHEMBL8637800

SCHEMBL8637800

CC(O)(CC(N)=O)Cc1cccc2nccnc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 3/20 0.37
MAPK9 P45984 3/20 0.37
MAPK10 P53779 3/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
THRB P10828 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ADAM17 P78536 1/20 0.36
MAPT P10636 3/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 4/20 0.34
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NR3C2 P08235 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GAA P10253 2/20 0.33
PKLR P30613 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL6902980 0.76 MAPK8 (0.45) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL29456254 0.76 MAPK8 (0.45) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL19386402 0.76 MAPT (0.44) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL3713718 0.71 KDM4E (0.50) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL8637806 0.70 MAPT (0.37) MEN1KMT2AALDH1A1ADAM17MAPT
SCHEMBL8596016 0.70 MAPT (0.48) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL3709497 0.69 MAPK8 (0.46) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL25846851 0.67 LOXL2 (0.52) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL10052953 0.67 KDM4E (0.39) MAPK8MAPK9MAPK10MEN1KMT2A
SCHEMBL8637798 0.66 MAPT (0.49) MEN1KMT2AALDH1A1NPSR1MAPT

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
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 WO disclosed