SCHEMBL12825647

SCHEMBL12825647

CCc1cc2c(c(OC(C)C)c(C(=O)NCCN(C)CC)n2C)c(=O)n1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ EIF4E P06730 1/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ SMO Q99835 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ BRPF1 P55201 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MET P08581 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ FLT4 P35916 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ ALK Q9UM73 1/20 0.32

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
SCHEMBL10299334 0.94 MKNK1 (0.38) RXFP1EIF4EMKNK1MKNK2SMO
SCHEMBL10299320 0.93 POLB (0.41) KMT2AMEN1MAPK1POLBMAPT
SCHEMBL10299318 0.88 MKNK1 (0.36) KMT2AMEN1EIF4EMKNK1MKNK2
SCHEMBL10003784 0.86 HTR3A (0.45) KMT2AMEN1POLBMAPTKDM4E
SCHEMBL10299336 0.85 LMNA (0.35) KMT2ASMOPOLBPTGDR2MAPT
SCHEMBL10299326 0.85 AHR (0.40) POLBMAPTMETPDGFRBKIT
SCHEMBL12020094 0.84 SMO (0.36) SMOPTGDR2MAPTMETNAMPT
SCHEMBL10299353 0.83 ALDH1A1 (0.42) KMT2AMAPK1POLBNAMPTSMN1; SMN2
SCHEMBL10003727 0.83 HKDC1 (0.37) SMOPTGDR2SMN1; SMN2HKDC1KDM4E
SCHEMBL10299362 0.82 SRC (0.41) SMOPOLBBRPF1PTGDR2MAPT

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-2011024872-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2011-03-03 — — WO disclosed
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