SCHEMBL8815929

SCHEMBL8815929

COc1cc2ncnc(OCc3ccccc3OCc3ccccc3)c2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK1 P51617 1/20 0.59
IRAK4 Q9NWZ3 1/20 0.59
MAPK1 P28482 2/20 0.55
CSF1R P07333 1/20 0.55
PDGFRB P09619 1/20 0.55
FLT4 P35916 1/20 0.55
FLT3 P36888 1/20 0.55
ABCB1 P08183 3/20 0.54
EGFR P00533 5/20 0.53
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
LCK P06239 1/20 0.52
KDM1A O60341 1/20 0.52
MET P08581 1/20 0.52
KIT P10721 2/20 0.50
RET P07949 1/20 0.49
KIF5B P33176 1/20 0.49
KDR P35968 1/20 0.49

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
SCHEMBL8810873 0.86 PDGFRB (0.68) IRAK1IRAK4MAPK1CSF1RPDGFRB
SCHEMBL10296331 0.86 IRAK1 (0.68) IRAK1IRAK4MAPK1CSF1RPDGFRB
SCHEMBL7145582 0.83 TRPA1 (0.58) IRAK1IRAK4CSF1RPDGFRBFLT4
SCHEMBL4023315 0.81 PDGFRB (0.75) IRAK1IRAK4CSF1RPDGFRBFLT4
SCHEMBL4359665 0.81 CSF1R (0.81) IRAK1IRAK4CSF1RPDGFRBFLT4
SCHEMBL16281244 0.78 KDM1A (0.60) IRAK1IRAK4MAPK1CSF1RPDGFRB
SCHEMBL3336424 0.78 PIK3CD (0.53) IRAK1IRAK4MAPK1CSF1RPDGFRB
SCHEMBL6788900 0.78 IRAK1 (0.59) IRAK1IRAK4MAPK1CSF1RPDGFRB
SCHEMBL4419576 0.77 IRAK1 (0.60) IRAK1IRAK4MAPK1ABCB1EGFR
SCHEMBL297514 0.77 ENPP1 (0.68) IRAK1IRAK4MAPK1EGFRKDM4E

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-0782570-A1 SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE THE WELLCOME FOUNDATION LIMITED (GB) 1997-07-09 EP disclosed