SCHEMBL6270885

SCHEMBL6270885

FNc1cccc(COc2cnccn2)c1.O=C(Nc1ccc(F)c(COc2cnccn2)c1)Nc1nnc(CC2CC2)s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
HTT P42858 2/20 0.41
PTPRE P23469 1/20 0.39
HPN P05981 1/20 0.39
POLB P06746 1/20 0.38
GLS O94925 1/20 0.38
BLM P54132 2/20 0.38
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.36
ABL1 P00519 1/20 0.36

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 0.91 MAPT (0.44) MAPTMEN1KMT2AHTTPTPRE
SCHEMBL6204115 0.87 PTPRE (0.41) MAPTMEN1KMT2AHTTPTPRE
SCHEMBL6079234 0.82 ABL1 (0.54) MAPTMEN1KMT2AHTTPOLB
SCHEMBL6080735 0.78 BLM (0.55) MAPTMEN1KMT2AHTTPOLB
SCHEMBL6309454 0.75 NPC1 (0.43) MAPTMEN1KMT2APTPREHPN
SCHEMBL6079515 0.75 BLM (0.42) MAPTMEN1KMT2AHTTPTPRE
SCHEMBL6078723 0.75 BLM (0.43) MAPTMEN1KMT2AHTTPTPRE
SCHEMBL6079674 0.75 RAB9A (0.49) MAPTMEN1KMT2AHTTPTPRE
SCHEMBL6078996 0.75 BRAF (0.50) MAPTPTPREPOLBBLM
SCHEMBL6084065 0.71 CNR1 (0.53) MAPTMEN1KMT2AHTTPOLB

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-2005002673-A1 RAF KINASE INHIBITORS ASTEX THERAPEUTICS LIMITED (GB) 2005-01-13 WO disclosed