SCHEMBL6137947

SCHEMBL6137947

Cc1cc(I)ccc1Nc1c(OC(=O)O)cc2nc(CCN(C)C)[nH]c2c1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
IDO1 P14902 2/20 0.35
STK4 Q13043 1/20 0.32
STK3 Q13188 1/20 0.32
CSF1R P07333 1/20 0.31
MAPK1 P28482 1/20 0.31
MAP2K1 Q02750 3/20 0.31
MAP2K2 P36507 2/20 0.31
GFER P55789 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6138310 0.91 MEN1 (0.37) MEN1KMT2ATDP1IDO1MAPK1
SCHEMBL5991100 0.87 IDO1 (0.45) MEN1KMT2ATDP1IDO1STK3
SCHEMBL5991578 0.84 MEN1 (0.42) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL27557871 0.81 MEN1 (0.40) MEN1KMT2ATDP1IDO1STK3
SCHEMBL5989412 0.79 MEN1 (0.63) MEN1KMT2ATDP1MAP2K1MAP2K2
SCHEMBL6137796 0.77 IDO1 (0.42) MEN1KMT2ATDP1IDO1MAPK1
SCHEMBL6137927 0.77 IDO1 (0.40) MEN1KMT2ATDP1IDO1MAPK1
SCHEMBL5989392 0.77 IDO1 (0.47) MEN1KMT2ATDP1IDO1STK3
SCHEMBL5990194 0.74 MEN1 (0.43) MEN1KMT2ATDP1IDO1MAP2K1
SCHEMBL6137984 0.74 IDO1 (0.42) MEN1KMT2ATDP1IDO1MAPK1

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-1144385-B1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2005-08-17 EP claimed