SCHEMBL14220104

SCHEMBL14220104

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

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.58
MAP2K2 P36507 4/20 0.58
MAPK1 P28482 2/20 0.58
BRAF P15056 1/20 0.58
MAP2K5 Q13163 1/20 0.58

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
SCHEMBL14222548 0.91 MAP2K1 (0.59) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14222844 0.91 MAP2K1 (0.59) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219700 0.91 MAP2K1 (0.59) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219618 0.89 MAP2K1 (0.59) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219730 0.88 MAP2K1 (0.56) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14222536 0.87 MAP2K1 (0.58) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219623 0.87 MAP2K1 (0.58) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219653 0.87 MAP2K1 (0.60) MAP2K1MAP2K2
SCHEMBL14219681 0.87 MAP2K1 (0.55) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14220127 0.86 MAP2K1 (0.50) 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