SCHEMBL20525686

SCHEMBL20525686

COc1ccc2c(Oc3ncc(NC(=S)NC(=O)Cc4ccccc4)cc3Cl)ccnc2c1OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 14/20 0.58
PDGFRA P16234 2/20 0.56
KIT P10721 1/20 0.56
KDR P35968 10/20 0.55
PDGFRB P09619 1/20 0.51
AXL P30530 1/20 0.51
RAB9A P51151 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CRHBP P24387 2/20 0.45
CRHR2 Q13324 2/20 0.45
NPC1 O15118 1/20 0.45
RORC P51449 1/20 0.44
FLT1 P17948 1/20 0.44
FLT4 P35916 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL379021 0.86 MET (0.77) METPDGFRAKITKDRPDGFRB
SCHEMBL20525528 0.85 AXL (0.46) METPDGFRAKDRAXLMEN1
SCHEMBL20525801 0.82 POLB (0.52) METAXLRAB9ANPC1ALDH1A1
SCHEMBL20525758 0.81 HTT (0.49) PDGFRAKITPDGFRBMEN1KMT2A
SCHEMBL20525750 0.79 KDR (0.47) METPDGFRAKDRPDGFRBAXL
SCHEMBL20525674 0.79 AXL (0.53) METPDGFRAKITKDRPDGFRB
SCHEMBL1875882 0.78 MET (0.77) METPDGFRAKITKDRPDGFRB
SCHEMBL1876150 0.78 MET (0.81) METPDGFRAKITKDRPDGFRB
SCHEMBL20525766 0.78 ALDH1A1 (0.49) METPDGFRAKDRPDGFRBAXL
SCHEMBL20525870 0.77 AXL (0.42) PDGFRAKDRAXLRORCALDH1A1

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-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP claimed