SCHEMBL7057769

SCHEMBL7057769

Cc1c(OC(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc(F)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.39
ERBB2 P04626 4/20 0.39
MALT1 Q9UDY8 1/20 0.39
ALDH1A1 P00352 5/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MCHR1 Q99705 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
JAK3 P52333 2/20 0.38
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 2/20 0.37
FGFR1 P11362 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37

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
SCHEMBL7060834 0.94 MAPT (0.39) EGFRALDH1A1HPGDMAPTMEN1
SCHEMBL7059006 0.94 ALDH1A1 (0.39) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL7054601 0.92 MCHR1 (0.43) EGFRALDH1A1HPGDMAPTMEN1
SCHEMBL7053934 0.91 NR1H4 (0.40) EGFRALDH1A1HPGDMAPTMEN1
SCHEMBL7060964 0.91 ALDH1A1 (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL7050099 0.89 ALDH1A1 (0.41) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL6052141 0.89 HTT (0.45) EGFRERBB2MALT1ALDH1A1HPGD
SCHEMBL7058698 0.88 MAPT (0.42) EGFRALDH1A1HPGDMAPTMEN1
SCHEMBL7058692 0.88 ALDH1A1 (0.41) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL7055517 0.88 ALDH1A1 (0.41) EGFRERBB2ALDH1A1HPGDMAPT

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-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed