SCHEMBL6414872

SCHEMBL6414872

NN=C(c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc2nonc2nc1Nc1ccc(F)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.43
CSNK2A1 P68400 13/20 0.41
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
ALDH1A1 P00352 2/20 0.38
TDO2 P48775 2/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL6414742 0.93 MEN1 (0.36) RPA1ALDH1A1KDM4EMEN1POLB
SCHEMBL6415959 0.91 BIRC5 (0.42) RPA1CSNK2A1CSNK2A2CSNK2BALDH1A1
SCHEMBL6432253 0.90 RPA1 (0.44) RPA1CSNK2A1CSNK2A2CSNK2BALDH1A1
SCHEMBL6417031 0.89 CSNK2A1 (0.44) CSNK2A1CSNK2A2CSNK2BALDH1A1TDO2
SCHEMBL6417016 0.89 CSNK2A1 (0.44) CSNK2A1CSNK2A2CSNK2BALDH1A1TDO2
SCHEMBL6419745 0.88 PTPN1 (0.43) CSNK2A1ALDH1A1KDM4EMEN1POLB
SCHEMBL6415096 0.86 AURKA (0.38) RPA1ALDH1A1TDO2POLBMAPT
SCHEMBL6419747 0.84 BIRC5 (0.43) RPA1ALDH1A1KDM4EMEN1POLB
SCHEMBL6422204 0.83 KDM4E (0.44) RPA1ALDH1A1KDM4EMEN1POLB
SCHEMBL6415701 0.83 CSNK2A1 (0.45) CSNK2A1CSNK2A2CSNK2BPOLBMAPT

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
WO-2005044270-A1 OXADIAZOLOPYRAZINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE COMPOUNDS 4SC AG (DE) 2005-05-19 WO disclosed
EP-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 EP disclosed