SCHEMBL2579408

SCHEMBL2579408

O=C(Nc1ccc(Oc2cccc3cc(-c4ccc(CN5CCNCC5=O)cn4)sc23)c(F)c1)NC1CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.44
MST1R Q04912 15/20 0.43
KDR P35968 2/20 0.42
NTRK1 P04629 1/20 0.41
KIT P10721 1/20 0.41
AXL P30530 1/20 0.41
FLT3 P36888 1/20 0.41
NTRK2 Q16620 1/20 0.41

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
SCHEMBL2579407 0.90 MST1R (0.53) METMST1RKDRNTRK1KIT
SCHEMBL2539215 0.81 MST1R (0.55) METMST1RKDRNTRK1KIT
SCHEMBL1478490 0.81 MST1R (0.54) METMST1RKDRNTRK1KIT
SCHEMBL2534528 0.80 MET (0.59) METMST1RKDRNTRK1KIT
SCHEMBL2538054 0.79 MST1R (0.57) METMST1RKDRNTRK1KIT
SCHEMBL2533792 0.78 MST1R (0.56) METMST1RKDR
SCHEMBL2533788 0.78 MET (0.57) METMST1RKDR
SCHEMBL2534301 0.78 MST1R (0.54) METMST1RKDRNTRK1KIT
SCHEMBL2534298 0.78 MST1R (0.54) METMST1RKDRNTRK1KIT
SCHEMBL1934621 0.77 MST1R (0.56) METMST1RKDRNTRK1KIT

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-2563795-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY MethylGene Inc. (CA) 2013-03-06 EP disclosed
WO-2011127567-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY METHYLGENE INC. (CA) 2011-10-20 WO disclosed