SCHEMBL6204115

SCHEMBL6204115

Nc1ccc(F)c(COc2cnccn2)c1.O=C(Nc1ccc(F)c(COc2cnccn2)c1)Nc1nnc(CC2CC2)s1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPRE P23469 2/20 0.41
MAPT P10636 6/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
HTT P42858 2/20 0.40
GLS O94925 2/20 0.39
BLM P54132 4/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
WRN Q14191 2/20 0.36
ATM Q13315 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL6079773 0.95 MAPT (0.44) PTPREMAPTMEN1KMT2AHTT
SCHEMBL6270885 0.87 MAPT (0.41) PTPREMAPTMEN1KMT2AHTT
SCHEMBL6079234 0.81 ABL1 (0.54) MAPTMEN1KMT2AHTTNPC1
SCHEMBL6078723 0.79 BLM (0.43) PTPREMAPTMEN1KMT2AHTT
SCHEMBL6079674 0.79 RAB9A (0.49) PTPREMAPTMEN1KMT2AHTT
SCHEMBL6080735 0.79 BLM (0.55) MAPTMEN1KMT2AHTTBLM
SCHEMBL6078996 0.78 BRAF (0.50) PTPREMAPTBLMNPC1RAB9A
SCHEMBL6079515 0.77 BLM (0.42) PTPREMAPTMEN1KMT2AHTT
SCHEMBL6079224 0.73 RXRA (0.42) MAPTMEN1KMT2A
SCHEMBL6084065 0.73 CNR1 (0.53) MAPTMEN1KMT2AHTTBLM

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-1545523-A1 3-&-grave;(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES ASP38 MAP KINASE INHIBITORS Astex Technology Limited (GB) 2005-06-29 EP disclosed
WO-2004004720-A1 3-`(HETERO) ARYLMETHOXY ! PYRIDINES AND THEIR ANALOGUES AS P38 MAP KINASE INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-01-15 WO disclosed