SCHEMBL5582249

SCHEMBL5582249

CCCCCCCCc1c(C2CC2)nc2ncnn2c1N

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MBOAT4 Q96T53 18/20 0.39
ATM Q13315 1/20 0.38

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
SCHEMBL10636531 0.82 MBOAT4 (0.52) GAAHTTSMN1; SMN2MBOAT4
SCHEMBL230425 0.82 MBOAT4 (0.52) GAAHTTSMN1; SMN2MBOAT4
SCHEMBL3132086 0.80 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3130141 0.80 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL5227025 0.80 MBOAT4 (0.50) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL174682 0.80 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3121971 0.80 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3125386 0.80 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL303749 0.80 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM
SCHEMBL3135629 0.80 GAA (0.45) GAAHTTSMN1; SMN2MBOAT4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007527887-A 2007-10-04 JP claimed
EP-1725561-A1 5,6-DIALKYL-7-AMINO-TRIAZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2006-11-29 EP claimed
WO-2005087773-A1 5,6-DIALKYL-7-AMINO-TRIAZOLOPYRIMIDINES, METHOD FOR THEIR PRODUCTION, THEIR USE FOR CONTROLLING PATHOGENIC FUNGI AND AGENTS CONTAINING SAID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2005-09-22 WO claimed