SCHEMBL8070128

SCHEMBL8070128

Cc1ccc(Nc2c(C(=O)NOCCOCCCCCC(=O)NO)cc3c(ncn3C)c2F)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 11/20 0.65
MAP2K2 P36507 2/20 0.65
SMC2 O95347 1/20 0.65
EGFR P00533 1/20 0.65
CSNK2A2 P19784 1/20 0.65
SMC1A Q14683 1/20 0.65
AAK1 Q2M2I8 1/20 0.65
Q6ZSR9 Q6ZSR9 1/20 0.65
BMP2K Q9NSY1 1/20 0.65
ABCB11 O95342 1/20 0.57
NQO2 P16083 1/20 0.57
HDAC3 O15379 10/20 0.43
HDAC1 Q13547 10/20 0.43
HDAC6 Q9UBN7 10/20 0.43
HDAC4 P56524 9/20 0.43
HDAC7 Q8WUI4 9/20 0.43
HDAC2 Q92769 9/20 0.43
HDAC10 Q969S8 9/20 0.43
HDAC11 Q96DB2 9/20 0.43
HDAC8 Q9BY41 9/20 0.43

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
SCHEMBL8070127 0.96 MAP2K1 (0.69) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL8064131 0.94 MAP2K1 (0.74) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL14067380 0.94 MAP2K1 (0.74) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL14067379 0.94 MAP2K1 (0.75) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL8213744 0.92 MAP2K1 (0.62) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL8063828 0.91 MAP2K1 (0.63) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL14067369 0.91 MAP2K1 (0.76) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL14067358 0.90 MAP2K1 (0.79) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL4534216 0.90 MAP2K1 (0.79) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL8064115 0.89 MAP2K1 (0.64) 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
WO-2009036020-A1 MEK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed