SCHEMBL7289243

SCHEMBL7289243

CSc1[nH]c(C)nc(=O)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
RXFP1 Q9HBX9 3/20 0.37
PPARG P37231 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
LMNA P02545 2/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
TSHR P16473 2/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
PRNP P04156 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32

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
SCHEMBL7291664 0.78 GAA (0.41) GAARXFP1PPARGNCOR2LMNA
SCHEMBL7291463 0.78 GAA (0.41) GAARXFP1PPARGNCOR2LMNA
SCHEMBL7281825 0.78 GAA (0.41) GAARXFP1PPARGNCOR2LMNA
SCHEMBL7291641 0.76 PKM (0.40) GAARXFP1PPARGNCOR2LMNA
SCHEMBL7289327 0.74 KDM4E (0.44) GAARXFP1PPARGNCOR2KMT2A
SCHEMBL10466353 0.71 GAA (1.00) GAARXFP1PPARGNCOR2LMNA
SCHEMBL7335306 0.70 GAA (0.42) GAAKDM4EALDH1A1ATMPDE4A
SCHEMBL7335311 0.70 GAA (0.46) GAAKMT2AMEN1TSHRKDM4E
SCHEMBL9640574 0.68 GAA (0.47) GAARXFP1PPARGNCOR2LMNA
SCHEMBL7282267 0.68 GAA (0.41) GAALMNAKDM4EALDH1A1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4505910-A Amino-pyrimidine derivatives, compositions and use AMERICAN HOME PRODUCTS CORPORATION (US) 1985-03-19 US disclosed
EP-0130735-A1 Amino-pyrimidine derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1985-01-09 EP disclosed