SCHEMBL8889418

SCHEMBL8889418

CCn1nc(-c2ccccc2)c(C(C)=O)c1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.49
CSF1R P07333 1/20 0.49
FGFR1 P11362 1/20 0.49
FLT1 P17948 1/20 0.49
KDR P35968 1/20 0.49
CSNK1A1 P48729 1/20 0.49
CDK8 P49336 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CDK5 Q00535 1/20 0.49
PRKCQ Q04759 1/20 0.49
LRRK2 Q5S007 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
DYRK1B Q9Y463 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
TNNI3 P19429 1/20 0.48

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
SCHEMBL8888843 0.85 MEN1 (0.53) PDE4BCSF1RFGFR1FLT1KDR
SCHEMBL8890041 0.84 CSF1R (0.46) PDE4BSMN1; SMN2CSF1RFGFR1FLT1
SCHEMBL8890259 0.83 FLT1 (0.48) PDE4BSMN1; SMN2CSF1RFGFR1FLT1
SCHEMBL8888266 0.81 CSF1R (0.66) SMN1; SMN2CSF1RFGFR1FLT1KDR
SCHEMBL3032899 0.80 CSF1R (0.69) PDE4BSMN1; SMN2CSF1RFGFR1FLT1
SCHEMBL11862067 0.79 CA1 (0.56) PDE4BSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL8887875 0.78 MEN1 (0.51) SMN1; SMN2MEN1KMT2AL3MBTL1ADORA3
SCHEMBL4708098 0.78 PDE4B (0.54) PDE4BSMN1; SMN2CSF1RFGFR1FLT1
SCHEMBL11541106 0.78 PTGDR2 (0.54) SMN1; SMN2MEN1KMT2AKDM4EUSP2
SCHEMBL3033412 0.76 PDE4B (0.55) PDE4BSMN1; SMN2CSF1RFGFR1FLT1

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
WO-1997001551-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-01-16 WO disclosed