SCHEMBL10272163

SCHEMBL10272163

CSc1nc(NC2CC2)[nH]c(=O)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 1/20 0.43
PKM P14618 1/20 0.40
FYN P06241 1/20 0.38
RXFP1 Q9HBX9 2/20 0.36
PPARG P37231 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.34
TSHR P16473 2/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
PRNP P04156 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 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
SCHEMBL4907452 0.73 MEN1 (0.53) MEN1KMT2ALMNAHPGDRXFP1
SCHEMBL10271853 0.72 GAA (0.70) GAAMEN1KMT2ALMNAHPGD
SCHEMBL10466353 0.72 GAA (1.00) GAAMEN1KMT2ALMNAHPGD
SCHEMBL10464952 0.72 GAA (0.56) GAAMEN1KMT2ALMNAHPGD
SCHEMBL4905878 0.70 LMNA (0.56) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL4906447 0.70 BRD4 (0.55) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL4908900 0.70 HTT (0.60) GAAMEN1KMT2ALMNAHPGD
SCHEMBL4898304 0.69 ALDH1A1 (0.42) GAAMEN1KMT2AHPGDRXFP1
SCHEMBL9639451 0.69 NPSR1 (0.46) GAAMEN1KMT2ALMNAHPGD
SCHEMBL9640912 0.69 KMT2A (0.45) GAAMEN1KMT2ALMNAHPGD

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