SCHEMBL14220176

SCHEMBL14220176

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.47
MAP2K2 P36507 3/20 0.47
ABCB11 O95342 1/20 0.47
NQO2 P16083 1/20 0.47
SMC2 O95347 1/20 0.43
EGFR P00533 1/20 0.43
CSNK2A2 P19784 1/20 0.43
SMC1A Q14683 1/20 0.43
AAK1 Q2M2I8 1/20 0.43
Q6ZSR9 Q6ZSR9 1/20 0.43
BMP2K Q9NSY1 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL14219629 0.93 MAP2K1 (0.45) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219719 0.90 MAP2K1 (0.48) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219849 0.90 MAP2K1 (0.43) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14222855 0.90 MAP2K1 (0.42) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219653 0.89 MAP2K1 (0.60) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219710 0.88 MEN1 (0.40) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14222856 0.87 MEN1 (0.40) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14222541 0.86 MAP2K1 (0.39) MAP2K1MAP2K2ABCB11NQO2EGFR
SCHEMBL14220113 0.86 MAP2K1 (0.49) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219698 0.86 MAP2K1 (0.45) MAP2K1MAP2K2ABCB11NQO2SMC2

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