SCHEMBL27612932

SCHEMBL27612932

CCOC(=O)c1cnc(Nc2ccc(OC(=O)NCC(O)CO)cc2)nc1Nc1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 11/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
BRD4 O60885 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SIRT5 Q9NXA8 2/20 0.44
LMNA P02545 1/20 0.44
MAP4K3 Q8IVH8 1/20 0.43
MAP4K1 Q92918 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
XBP1 P17861 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL27612789 0.90 SYK (0.56) SYKMAPTNPC1BRD4MAPK1
SCHEMBL27845992 0.85 SYK (0.47) SYKMAPK1HTTSIRT5XBP1
SCHEMBL27631810 0.85 BRD4 (0.48) SYKMAPTNPC1BRD4MAPK1
SCHEMBL654070 0.83 SYK (0.63) SYKBRD4MAPK1HTTSIRT5
SCHEMBL27612458 0.77 SYK (0.59) SYKMAPTBRD4MAPK1HTT
SCHEMBL27631541 0.76 SYK (0.54) SYKBRD4MAPK1HTTSIRT5
SCHEMBL27839053 0.74 SYK (0.53) SYKMAPTBRD4MAPK1HTT
SCHEMBL656203 0.73 SYK (0.58) SYKMAPTMAPK1HTTXBP1
SCHEMBL655819 0.72 SYK (0.52) SYKMAPTMAPK1HTTSIRT5
SCHEMBL7243040 0.72 CDK4 (0.73) MAPTNPC1SIRT5LMNA

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
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed