SCHEMBL2818299

SCHEMBL2818299

CN(C)CCOc1ccc(C(F)(F)F)cc1N(C(N)=O)c1ccc(-c2cc(C(C)(C)C)nc3c2cnn3C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.34
PIM3 Q86V86 2/20 0.34
SCN9A Q15858 5/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
MCHR1 Q99705 1/20 0.33
RAF1 P04049 1/20 0.33
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
CCR6 P51684 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LTB4R Q15722 1/20 0.32
SYK P43405 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CHEK2 O96017 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
SCHEMBL2819647 0.81 RAF1 (0.44) TRPV1RAF1
SCHEMBL12973385 0.77 BRAF (0.43) CTSSCTSK
SCHEMBL12973381 0.70 HTR2A (0.54)
SCHEMBL2820623 0.69 HTR2A (0.48)
SCHEMBL2816687 0.69 KDR (0.51) PIM1RAF1AURKARPS6KB1SYK
SCHEMBL12973374 0.67 KDR (0.54) AURKARPS6KB1MAPTSYK
SCHEMBL2818711 0.66 HDAC1 (0.40) SCN9ARAF1CTSKMAPT
SCHEMBL2819180 0.65 KDR (0.55) RPS6KB1CTSSCTSKSYK
SCHEMBL13388545 0.63 MAPT (0.43) KDM4EMAPTMAPK1
SCHEMBL2820166 0.63 KIT (0.53) RPS6KB1SYK

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
US-7846928-B2 Substituted pyrazolopyridines and salts thereof, pharmaceutical compositions comprising same, methods of preparing same and uses of same BAYER SCHERING PHARMA AG (DE) 2010-12-07 US claimed