SCHEMBL7987953

SCHEMBL7987953

O=c1nc(-c2ccccc2)[nH]c2ncn(Cc3ccc(C(F)(F)F)cc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.46
CNOT7 Q9UIV1 2/20 0.46
PARN O95453 1/20 0.46
CXCR2 P25025 1/20 0.45
ADORA3 P0DMS8 1/20 0.44
TNKS O95271 1/20 0.43
WNT3A P56704 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
NR3C1 P04150 1/20 0.41
SCN2A Q99250 2/20 0.40
NPBWR1 P48145 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK13 O15264 1/20 0.39
RAF1 P04049 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL7974492 0.89 ABCC8 (0.47) PDE2ACNOT7PARNTNKSTNKS2
SCHEMBL7975271 0.89 CNOT7 (0.56) CNOT7PARNCXCR2ADORA3KMT2A
SCHEMBL7984975 0.89 CXCR2 (0.53) CNOT7PARNCXCR2SCN2AMEN1
SCHEMBL7974074 0.89 CXCR2 (0.45) CNOT7PARNCXCR2ADORA3SCN2A
SCHEMBL7986522 0.88 CNOT7 (0.48) CNOT7PARNTNKSTNKS2MEN1
SCHEMBL7991406 0.86 CNOT7 (0.49) CNOT7PARNCXCR2TNKSTNKS2
SCHEMBL7984720 0.85 CNOT7 (0.48) CNOT7PARNADORA3TNKSTNKS2
SCHEMBL7988017 0.85 KDM4E (0.43) CXCR2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7974444 0.84 CNOT7 (0.52) CNOT7PARNCXCR2KMT2AALDH1A1
SCHEMBL7974508 0.83 CNOT7 (0.51) CNOT7PARNTNKSTNKS2KMT2A

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-6310070-B1 FOR TREATING NEPHRITIS, IMPROVING PROTEINURIA DUE TO GLOMERULONEPHRITIS AND PREVENTING AGGRAVATION OF NEPHRITIS JAPAN ENERGY CORPORATION (JP) 2001-10-30 US disclosed
EP-0999211-A1 NOVEL PURINE DERIVATIVES AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2000-05-10 EP disclosed