SCHEMBL14220124

SCHEMBL14220124

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

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
PTGS2 P35354 1/20 0.32
EGFR P00533 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL14220125 0.89 MAP2K1 (0.38) MAP2K2MAP2K1EGFRMEN1KMT2A
SCHEMBL14219717 0.89 PTGS2 (0.38) MAP2K2MAP2K1PTGS2EGFRMEN1
SCHEMBL14219845 0.85 MAP2K2 (0.35) MAP2K2MAP2K1PTGS2
SCHEMBL14220115 0.79 TDP1 (0.38) MAP2K2MAP2K1PTGS2EGFRMEN1
SCHEMBL14219723 0.79 MAP2K1 (0.39) MAP2K2MAP2K1EGFRMEN1KMT2A
SCHEMBL14219642 0.77 TDP1 (0.39) MAP2K1PTGS2EGFRMEN1KMT2A
SCHEMBL14222505 0.76 MEN1 (0.41) MAP2K2MAP2K1MEN1KMT2ATDP1
SCHEMBL14223203 0.75 KDM4E (0.36) MAP2K2MAP2K1PTGS2EGFRMEN1
SCHEMBL14219656 0.75 PTGS2 (0.41) MAP2K2MAP2K1PTGS2EGFRMEN1
SCHEMBL14219715 0.75 PTGS2 (0.41) MAP2K1PTGS2MEN1KMT2ATDP1

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