SCHEMBL1935581

SCHEMBL1935581

O=C(Nc1ccc(Oc2ccnc3cc(-c4ccc(CN5CCCOC5=O)cn4)sc23)c(F)c1)NC1CC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MST1R Q04912 18/20 0.55
MET P08581 2/20 0.52
KDR P35968 2/20 0.52
NTRK1 P04629 1/20 0.52
KIT P10721 1/20 0.52
AXL P30530 1/20 0.52
FLT3 P36888 1/20 0.52
NTRK2 Q16620 1/20 0.52

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
SCHEMBL1934621 0.96 MST1R (0.56) MST1RMETKDRNTRK1KIT
SCHEMBL14849177 0.91 MST1R (0.55) MST1RMETKDRNTRK1KIT
SCHEMBL1478490 0.91 MST1R (0.54) MST1RMETKDRNTRK1KIT
SCHEMBL2533116 0.90 MST1R (0.57) MST1RMETKDRNTRK1KIT
SCHEMBL2539215 0.90 MST1R (0.55) MST1RMETKDRNTRK1KIT
SCHEMBL14839358 0.89 MST1R (0.53) MST1RMETKDRNTRK1KIT
SCHEMBL2538054 0.89 MST1R (0.57) MST1RMETKDRNTRK1KIT
SCHEMBL2534301 0.88 MST1R (0.54) MST1RMETKDRNTRK1KIT
SCHEMBL2534298 0.88 MST1R (0.54) MST1RMETKDRNTRK1KIT
SCHEMBL1478769 0.88 MST1R (0.65) MST1R

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-2332536-A1 Inhibitors of protein tyrosine kinase activity MethylGene Inc. (CA) 2011-06-15 EP disclosed