SCHEMBL27559232

SCHEMBL27559232

Nc1ncc(Br)c(CO)n1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.39
NUDT1 P36639 5/20 0.37
HSP90AA1 P07900 1/20 0.35
FGFR1 P11362 1/20 0.33

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
SCHEMBL23534954 0.79 NUDT1 (0.41) GRM4NUDT1HSP90AA1
SCHEMBL29948217 0.79 NUDT1 (0.41) GRM4NUDT1HSP90AA1
SCHEMBL22834670 0.79 LMNA (0.40) GRM4NUDT1HSP90AA1
SCHEMBL29652037 0.79 LMNA (0.40) GRM4NUDT1HSP90AA1
SCHEMBL27559431 0.78 NUDT1 (0.40) GRM4NUDT1HSP90AA1FGFR1
SCHEMBL31292534 0.77 KMT2A (0.36)
SCHEMBL16659005 0.75 KDM4E (0.35)
SCHEMBL4736009 0.75
SCHEMBL16815393 0.72 GAA (0.41)
SCHEMBL1590088 0.72 GRM4 (0.47) GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1315811-C Pyrimidine derivatives and preparing method thereof UNIV NANKAI (CN) 2007-05-16 CN claimed
CN-1528750-A Pyrimidine derivatives and preparing method thereof 南开大学 2004-09-15 CN claimed
CN-1315811-C Pyrimidine derivatives and preparing method thereof UNIV NANKAI (CN) 2007-05-16 CN disclosed
CN-1528750-A Pyrimidine derivatives and preparing method thereof 南开大学 2004-09-15 CN disclosed