SCHEMBL16199828

SCHEMBL16199828

CN1CCN(C(=N)/C=C\C(=N)c2cccc(Cn3nc(-c4cc(F)cc(F)c4)ccc3=O)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 16/20 0.53
▸ KMT2A Q03164 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.41

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
SCHEMBL13089762 0.85 MET (0.56) METKMT2AKDM4EALDH1A1HSD17B10
SCHEMBL1302898 0.79 MET (0.60) METKMT2AMEN1IRAK4
SCHEMBL13089760 0.78 MET (0.61) METKMT2AMEN1
SCHEMBL4130448 0.77 MET (0.69) METKMT2AALDH1A1MEN1
SCHEMBL13089759 0.77 MET (0.68) METKMT2AMEN1
SCHEMBL1950688 0.77 MET (0.71) METKMT2AMEN1IRAK4
SCHEMBL13089799 0.77 MET (0.66) METIRAK4
Acetic Acid SCHEMBL3046972 0.76 MET (0.60) METKMT2AMEN1
SCHEMBL1302552 0.76 MET (0.64) METKMT2AMEN1
SCHEMBL3062465 0.76 MET (0.64) METIRAK4

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-2164843-B1 PYRIDAZINONE DERIVATES MERCK PATENT GMBH (DE) 2014-10-29 — — EP disclosed
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