SCHEMBL18352002

SCHEMBL18352002

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
SYK P43405 3/20 0.39
JAK3 P52333 5/20 0.39
JAK1 P23458 4/20 0.39
JAK2 O60674 3/20 0.39
HTT P42858 2/20 0.37
MAPK1 P28482 2/20 0.37
AURKA O14965 1/20 0.37
FLT3 P36888 1/20 0.37
AURKB Q96GD4 1/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
FOS P01100 1/20 0.34
JUN P05412 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL18352017 0.83 SYK (0.45) MAPTLMNASYKJAK3JAK1
SCHEMBL12106816 0.81 MAPT (0.41) MAPTLMNASYKHTTMAPK1
SCHEMBL18351993 0.81 SYK (0.42) MAPTLMNASYKJAK3JAK1
SCHEMBL18351982 0.81 SYK (0.48) MAPTLMNASYKHTTMAPK1
SCHEMBL12106915 0.80 TP53 (0.40) MAPTLMNASYKHTTMAPK1
SCHEMBL12103419 0.79 MAPT (0.39) MAPTLMNASYKHTTMAPK1
SCHEMBL18352139 0.79 DGAT1 (0.40) MAPTLMNASYKJAK3JAK1
SCHEMBL12103798 0.78 TP53 (0.39) MAPTLMNASYKHTTMAPK1
SCHEMBL12103452 0.77 TP53 (0.51) MAPTLMNASYKHTTMAPK1
SCHEMBL27892477 0.76 MAPT (0.40) MAPTLMNAHTTMAPK1ALDH1A1

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