SCHEMBL14219756

SCHEMBL14219756

Cc1cc(Br)cnc1Nc1c(C(=O)NOCC(O)CO)cc(Cl)c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.48
MAP2K2 P36507 5/20 0.48
BRAF P15056 1/20 0.42
MAPK1 P28482 1/20 0.42
MAP2K5 Q13163 1/20 0.42
SMC2 O95347 1/20 0.40
EGFR P00533 1/20 0.40
CSNK2A2 P19784 1/20 0.40
SMC1A Q14683 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
Q6ZSR9 Q6ZSR9 1/20 0.40
BMP2K Q9NSY1 1/20 0.40
ABCB11 O95342 1/20 0.36
NQO2 P16083 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
SCHEMBL14223218 1.00 MAP2K1 (0.48) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14223052 0.91 MAP2K1 (0.45) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14219843 0.91 MAP2K1 (0.45) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14219647 0.91 MAP2K1 (0.51) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14219836 0.91 MAP2K1 (0.58) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14219659 0.89 MAP2K1 (0.44) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14220122 0.89 MAP2K1 (0.48) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14219850 0.89 MAP2K1 (0.50) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14219753 0.89 MAP2K1 (0.43) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14220127 0.88 MAP2K1 (0.50) MAP2K1MAP2K2BRAFMAPK1MAP2K5

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