SCHEMBL18352017

SCHEMBL18352017

CCOC(=O)c1c(C)nc(SC)nc1Nc1cnn(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.45
JAK3 P52333 5/20 0.44
JAK2 O60674 4/20 0.44
JAK1 P23458 4/20 0.44
AURKA O14965 1/20 0.44
FLT3 P36888 1/20 0.44
AURKB Q96GD4 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL18351993 0.87 SYK (0.42) SYKJAK3JAK2JAK1AURKA
SCHEMBL18352002 0.83 MAPT (0.40) SYKJAK3JAK2JAK1AURKA
SCHEMBL28496543 0.83 SYK (0.67) SYKJAK3JAK2JAK1AURKA
SCHEMBL1298459 0.78 MAPT (0.44) SYKMAPTLMNAMAPK1HTT
SCHEMBL1939342 0.77 SYK (0.55) SYKMAPTLMNAMAPK1HTT
SCHEMBL1298125 0.76 MAPK1 (0.45) SYKMAPTLMNAMAPK1HTT
SCHEMBL15264614 0.75 MAPT (0.52) SYKMAPTLMNAMAPK1ALDH1A1
SCHEMBL12103416 0.75 MAPT (0.43) SYKMAPTLMNAMAPK1HTT
SCHEMBL17069451 0.75 ALK (0.44) SYKJAK3JAK2JAK1AURKB
SCHEMBL18352112 0.75 SYK (0.45) SYKJAK3JAK1MAPTLMNA

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-9533986-B2 Bicyclic dihydropyridone kinase inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2017-01-03 US disclosed