SCHEMBL3830884

SCHEMBL3830884

COc1cc2c(Oc3ccc(N(CCc4ccccc4)C(=O)C(N)=O)cc3F)ncnc2cc1OC(C)C1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 16/20 0.44
▸ EGFR P00533 5/20 0.43
▸ KDR P35968 2/20 0.41
▸ TRPA1 O75762 1/20 0.40
▸ IRAK1 P51617 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL407663 0.91 MET (0.46) METKDR
SCHEMBL20525860 0.85 MET (0.46) METKDR
SCHEMBL3836016 0.83 MET (0.43) METEGFRKDRTRPA1
SCHEMBL3830873 0.82 EGFR (0.49) METEGFRKDR
SCHEMBL2328224 0.81 MET (0.43) METKDRIRAK4
SCHEMBL2330038 0.80 MET (0.45) METKDR
SCHEMBL15520452 0.80 KDR (0.45) METEGFRKDRTRPA1IRAK4
SCHEMBL371983 0.80 MET (0.54) METEGFRKDR
SCHEMBL2200943 0.78 MET (0.53) METKDR
SCHEMBL3858219 0.77 MET (0.55) METKDRIRAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2101759-A1 METHODS OF USING MEK INHIBITORS Exelixis, Inc. (US) 2009-09-23 — — EP claimed
WO-2008076415-A1 METHODS OF USING MEK INHIBITORS EXELIXIS, INC. (US) 2008-06-26 — — WO claimed
Send feedback