SCHEMBL14219615

SCHEMBL14219615

O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.60
RAF1 P04049 1/20 0.60
PDGFRB P09619 1/20 0.60
CSNK2A2 P19784 1/20 0.60
MAP2K2 P36507 1/20 0.60
CSNK2B P67870 1/20 0.60
CSNK2A1 P68400 1/20 0.60
CSNK2A3 Q8NEV1 1/20 0.60
AURKC Q9UQB9 1/20 0.60
CAMK2A Q9UQM7 1/20 0.60
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
SORT1 Q99523 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 2/20 0.42
GAA P10253 3/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL14222508 0.90 MEN1 (0.51) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL14222862 0.89 RAF1 (0.46) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL14219705 0.86 MAP2K1 (0.59) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL14222539 0.83 MAP2K1 (0.56) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL14223055 0.83 MAP2K1 (0.56) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL14222549 0.83 MAP2K1 (0.55) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL14222841 0.83 MAP2K1 (0.60) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL14219739 0.83 MAP2K1 (0.60) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL14219628 0.83 MAP2K1 (0.60) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL14219754 0.82 MAP2K1 (0.59) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2

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-2008041088-A2 N-HYDROXY BENZAMIDES WITH ANTITUMOR ACTIVITY EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) 2008-04-10 WO disclosed
EP-1908751-A1 N-hydroxy benzamides with antitumour activity EOS S.p.A. (IT) 2008-04-09 EP disclosed