SCHEMBL14220180

SCHEMBL14220180

N#Cc1cnc(Nc2c(C(=O)NOC[C@H](O)CO)cc(F)c(F)c2F)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.51
MAP2K2 P36507 3/20 0.51
MAPK1 P28482 2/20 0.43
BRAF P15056 1/20 0.43
MAP2K5 Q13163 1/20 0.43
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34

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
SCHEMBL14219846 0.94 MAP2K1 (0.56) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219735 0.91 MAP2K1 (0.48) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219625 0.91 MAP2K1 (0.48) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219681 0.90 MAP2K1 (0.55) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14223036 0.88 MAP2K1 (0.55) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14220142 0.82 MAP2K1 (0.61) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219636 0.81 MAP2K1 (0.51) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219707 0.81 MAP2K1 (0.51) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219647 0.81 MAP2K1 (0.51) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14222509 0.81 MAP2K1 (0.60) MAP2K1MAP2K2MAPK1BRAFMAP2K5

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