SCHEMBL14219652

SCHEMBL14219652

Bc1cnc(Nc2c(C(=O)NOCCO)cc(F)c(F)c2F)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.43
MAP2K2 P36507 3/20 0.43
ABCB11 O95342 1/20 0.43
NQO2 P16083 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMC2 O95347 1/20 0.40
EGFR P00533 1/20 0.40
CSNK2A2 P19784 1/20 0.40
SMC1A Q14683 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
Q6ZSR9 Q6ZSR9 1/20 0.40
BMP2K Q9NSY1 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
SCHEMBL14223208 0.90 MEN1 (0.43) MAP2K1MAP2K2ABCB11NQO2MEN1
SCHEMBL14219639 0.89 MAP2K1 (0.56) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL14220160 0.88 MAP2K1 (0.49) MAP2K1MAP2K2ABCB11NQO2MEN1
SCHEMBL14220113 0.88 MAP2K1 (0.49) MAP2K1MAP2K2ABCB11NQO2MEN1
SCHEMBL14220157 0.87 MEN1 (0.42) MAP2K1MAP2K2ABCB11NQO2MEN1
SCHEMBL14223207 0.87 MAP2K1 (0.47) MAP2K1MAP2K2MEN1KMT2ATDP1
SCHEMBL14219648 0.86 MEN1 (0.39) MAP2K1MEN1KMT2ATDP1
SCHEMBL14219827 0.85 MEN1 (0.60) MAP2K1MAP2K2ABCB11NQO2MEN1
SCHEMBL14220178 0.84 MAP2K1 (0.41) MAP2K1MAP2K2ABCB11NQO2SMC2
SCHEMBL14219649 0.84 TDP1 (0.38) MAP2K1MEN1KMT2ATDP1EGFR

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