SCHEMBL14220117

SCHEMBL14220117

Cc1cnc(Nc2c(C(=O)NOCC3CC3)cc(Cl)c(F)c2F)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAP2K1 Q02750 9/20 0.47
CSNK2A2 P19784 2/20 0.47
MAP2K2 P36507 2/20 0.47
RAF1 P04049 1/20 0.47
PDGFRB P09619 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 1/20 0.47
CSNK2A3 Q8NEV1 1/20 0.47
AURKC Q9UQB9 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
KDR P35968 1/20 0.36
CRHR1 P34998 1/20 0.36
SCN9A Q15858 8/20 0.34
SMC2 O95347 1/20 0.33
EGFR P00533 1/20 0.33
SMC1A Q14683 1/20 0.33
AAK1 Q2M2I8 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
SCHEMBL14223217 0.91 MEN1 (0.47) MEN1KMT2ATDP1MAP2K1CSNK2A2
SCHEMBL14219632 0.90 MEN1 (0.62) MEN1KMT2ATDP1MAP2K1CSNK2A2
SCHEMBL14219640 0.86 MAP2K1 (0.56) MEN1KMT2ATDP1MAP2K1CSNK2A2
SCHEMBL14222513 0.85 MAP2K1 (0.51) MEN1KMT2ATDP1MAP2K1CSNK2A2
SCHEMBL14219751 0.85 MEN1 (0.60) MEN1KMT2ATDP1MAP2K1CSNK2A2
SCHEMBL14220130 0.85 ALDH1A1 (0.37) MEN1KMT2ATDP1MAP2K1CSNK2A2
SCHEMBL14219843 0.82 MAP2K1 (0.45) MAP2K1CSNK2A2MAP2K2SMC2EGFR
SCHEMBL14223052 0.82 MAP2K1 (0.45) MAP2K1CSNK2A2MAP2K2SMC2EGFR
SCHEMBL14222862 0.82 RAF1 (0.46) MEN1KMT2ATDP1MAP2K1CSNK2A2
SCHEMBL14219656 0.81 PTGS2 (0.41) MEN1KMT2ATDP1MAP2K1CSNK2A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed