SCHEMBL14220125

SCHEMBL14220125

C=Cc1cnc(Nc2c(C(=O)NOC)cc(Br)c(F)c2F)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.38
MAP2K2 P36507 2/20 0.38
KDR P35968 2/20 0.34
EGFR P00533 1/20 0.34
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ABCB11 O95342 1/20 0.30
NQO2 P16083 1/20 0.30

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
SCHEMBL14220124 0.89 MAP2K2 (0.36) MAP2K1MAP2K2EGFRMEN1KMT2A
SCHEMBL14219712 0.85 MAP2K1 (0.36) MAP2K1MAP2K2KDRMEN1KMT2A
SCHEMBL14219723 0.81 MAP2K1 (0.39) MAP2K1MAP2K2EGFRMEN1KMT2A
SCHEMBL14222460 0.79 MAP2K1 (0.40) MAP2K1MAP2K2KDREGFRMEN1
SCHEMBL14222505 0.78 MEN1 (0.41) MAP2K1MAP2K2KDRMEN1KMT2A
SCHEMBL14223057 0.78 MAP2K1 (0.41) MAP2K1MAP2K2KDREGFRMEN1
SCHEMBL14219717 0.78 PTGS2 (0.38) MAP2K1MAP2K2EGFRMEN1KMT2A
SCHEMBL14219655 0.76 MAP2K1 (0.38) MAP2K1MAP2K2EGFRABCB11NQO2
SCHEMBL14219645 0.76 MEN1 (0.58) MAP2K1MAP2K2KDRMEN1KMT2A
SCHEMBL14219698 0.76 MAP2K1 (0.45) MAP2K1MAP2K2EGFRABCB11NQO2

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