SCHEMBL456158

SCHEMBL456158

FC1(COc2cnc(Cl)nc2)CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.36
PIM1 P11309 9/20 0.35
PIM2 Q9P1W9 9/20 0.35
CSF1R P07333 1/20 0.34
KDR P35968 1/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 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
SCHEMBL459489 0.81 PIM1 (0.35) PIM1PIM2CHRNB2CHRNA4
SCHEMBL25071608 0.78 PIM1 (0.38) PIM1PIM2CHRNB2CHRNA4
SCHEMBL21722806 0.67 PIM1 (0.41) PIM1PIM2IRAK4
SCHEMBL26081211 0.67 DRD2 (0.36)
SCHEMBL23047362 0.67 TDP1 (0.53) CHRNB2CHRNA4
SCHEMBL1959260 0.67 IRAK4 (0.38) LRRK2IRAK4
SCHEMBL30820798 0.66 CHRNA7 (0.49)
Hydrochloric Acid SCHEMBL28529877 0.66 PIM1 (0.41) PIM1PIM2IRAK4
SCHEMBL14782795 0.66 LRRK2 (0.41) LRRK2IRAK4
Hydrochloric Acid SCHEMBL15540086 0.66 TDP1 (0.55) CHRNB2CHRNA4

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-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed