SCHEMBL18516355

SCHEMBL18516355

c1cc(C2CCCC2)c2sc(-c3cn(CCCN4CCCC4)cn3)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.44
KDR P35968 5/20 0.44
CDK4 P11802 5/20 0.39
CCND1 P24385 5/20 0.39
KDM2B Q8NHM5 2/20 0.39
KDM4C Q9H3R0 3/20 0.36
KDM4A O75164 1/20 0.36
KCNH2 Q12809 2/20 0.34
CTSK P43235 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2C Q14957 1/20 0.33
KDM5A P29375 1/20 0.32
KDM5B Q9UGL1 1/20 0.32
MCHR1 Q99705 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
SCHEMBL307941 0.77 KDM2B (0.48) METKDRKDM2BKDM4CKDM4A
SCHEMBL12229332 0.76 KDM2B (0.47) METKDRKDM2BKDM4CKDM4A
SCHEMBL18516660 0.72 MET (0.67) METKDR
SCHEMBL307504 0.67 MET (0.63) METKDR
SCHEMBL12229331 0.67 MET (0.62) METKDR
SCHEMBL13167393 0.66 MET (0.66) METKDR
SCHEMBL308179 0.65 KDM5A (0.43) METKDRKDM4CKDM4AKDM5A
SCHEMBL307599 0.65 MET (0.61) METKDR
SCHEMBL10272596 0.63 KDM5A (0.47) METKDRKDM2BKDM4CKDM4A
SCHEMBL14243547 0.63 MET (0.48) METKDRGRIN3BGRIN1GRIN2C

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-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed