SCHEMBL14220127

SCHEMBL14220127

Cc1cnc(Nc2c(C(=O)NOCC(O)CO)cc(Cl)c(F)c2F)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.50
MAP2K2 P36507 5/20 0.50
MAPK1 P28482 2/20 0.42
BRAF P15056 1/20 0.42
MAP2K5 Q13163 1/20 0.42
SMC2 O95347 1/20 0.39
EGFR P00533 1/20 0.39
CSNK2A2 P19784 1/20 0.39
SMC1A Q14683 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
Q6ZSR9 Q6ZSR9 1/20 0.39
BMP2K Q9NSY1 1/20 0.39
ABCB11 O95342 1/20 0.34
NQO2 P16083 1/20 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
SCHEMBL14219650 1.00 MAP2K1 (0.50) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219618 0.92 MAP2K1 (0.59) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219843 0.91 MAP2K1 (0.45) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14223197 0.91 MAP2K1 (0.51) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14223052 0.91 MAP2K1 (0.45) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14223056 0.91 MAP2K1 (0.51) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14223200 0.90 MAP2K1 (0.51) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14223218 0.88 MAP2K1 (0.48) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219756 0.88 MAP2K1 (0.48) MAP2K1MAP2K2MAPK1BRAFMAP2K5
SCHEMBL14219719 0.87 MAP2K1 (0.48) MAP2K1MAP2K2SMC2EGFRCSNK2A2

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