SCHEMBL5288530

SCHEMBL5288530

Nc1c(-c2nnn[nH]2)cnc2ncnn12

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.48
MBOAT4 Q96T53 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
SCHEMBL5307909 0.73 ALDH1A1 (0.50) ALDH1A1POLBGAA
SCHEMBL4157774 0.66 ALDH1A1 (0.51) ALDH1A1POLBGAAMBOAT4
SCHEMBL609328 0.65 ALDH1A1 (0.50) ALDH1A1POLBGAAMBOAT4
SCHEMBL1308157 0.64 CHRM5 (0.40)
SCHEMBL15331243 0.62 ALDH1A1 (0.46) ALDH1A1POLBGAAMBOAT4
SCHEMBL10835557 0.60 ALDH1A1 (0.53) ALDH1A1POLBGAA
SCHEMBL23608159 0.59 MAP4K4 (0.34)
SCHEMBL3540816 0.59 CSNK1A1 (0.42) ALDH1A1POLBGAA
SCHEMBL21233273 0.58 CYP11B2 (0.39) ALDH1A1POLBGAA
SCHEMBL21806014 0.58 MKNK1 (0.47) GAA

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
WO-2007006723-A1 7-AMINO-6-TETRAZOLYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-01-18 WO disclosed
WO-2007006723-A1 7-AMINO-6-TETRAZOLYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-01-18 WO disclosed
WO-2007006723-A1 7-AMINO-6-TETRAZOLYL-1,2,4-TRIAZOLO[1,5-A]PYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-01-18 WO disclosed