SCHEMBL10271839

SCHEMBL10271839

CC(C)[C@@H](Nc1nc(Nc2ccc3ncccc3c2)c(C(N)=O)c(=O)[nH]1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.49
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
AURKA O14965 1/20 0.40
GRM4 Q14833 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TNIK Q9UKE5 1/20 0.40
EGFR P00533 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 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
SCHEMBL2719432 0.86 SYK (0.53) SYKAURKA
SCHEMBL2719439 0.86 SYK (0.53) SYKAURKA
SCHEMBL10272161 0.86 SYK (0.64) SYKMEN1NPC1POLBMAPT
SCHEMBL2716305 0.84 SYK (0.46) SYKMEN1NPC1POLBMAPT
SCHEMBL10271831 0.83 SYK (0.50) SYK
SCHEMBL10272078 0.83 SYK (0.63) SYKNPC1
SCHEMBL10272159 0.82 SYK (0.59) SYK
SCHEMBL10272173 0.81 SYK (0.44) SYK
SCHEMBL10271838 0.81 SYK (0.52) SYKNPC1AURKATNIK
SCHEMBL2728775 0.80 SYK (0.54) SYK

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-2012061415-A1 OXYPYRIMIDINES AS SYK MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 WO disclosed