SCHEMBL3457149

SCHEMBL3457149

CCc1c(C)nc(N)nc1Oc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.45
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39
MPL P40238 3/20 0.38
CDK8 P49336 2/20 0.36
FLT1 P17948 2/20 0.35
FLT4 P35916 2/20 0.35
KDR P35968 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KLKB1 P03952 1/20 0.34
TLR7 Q9NYK1 2/20 0.33
P2RX7 Q99572 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR8 Q9NR97 1/20 0.33
CRHR1 P34998 1/20 0.33
STK17A Q9UEE5 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL13017251 0.77 HTR2A (0.33) HTR2ASLC6A4KCNH2CRHR1RXRA
SCHEMBL3457258 0.77 HTR2A (0.33) HTR2ASLC6A4KCNH2CRHR1RXRA
SCHEMBL7896608 0.74 MEN1 (0.46) HTR2ASLC6A4KCNH2MPLCDK8
SCHEMBL249549 0.70 MPL (0.42) HTR2ASLC6A4KCNH2MPLCDK8
SCHEMBL248689 0.70 TRPA1 (0.45) HTR2ASLC6A4KCNH2MPLCDK8
SCHEMBL3929860 0.68 CDK8 (0.41) HTR2ASLC6A4KCNH2CDK8FLT1
SCHEMBL24385774 0.67 HTR2A (0.46) HTR2ASLC6A4KCNH2ARPLA2G7
SCHEMBL1283223 0.67 ALDH1A1 (0.50) MAPK1HTR2ASLC6A4KCNH2MPL
SCHEMBL1973743 0.67 MAPT (0.49) MAPK1MPLCDK8NPSR1AR
SCHEMBL2323118 0.67 ADORA2A (0.67) MPLNPSR1

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-2264010-A1 Hetarylamidines Bayer CropScience AG (DE) 2010-12-22 EP disclosed
EP-2264010-A1 Hetarylamidines Bayer CropScience AG (DE) 2010-12-22 EP disclosed