SCHEMBL4348286

SCHEMBL4348286

CN1CCN(CCCNC(=O)C=Cc2c[nH]c3ncccc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
DRD2 P14416 7/20 0.46
DRD3 P35462 6/20 0.46
HTR1D P28221 2/20 0.46
HTR1B P28222 2/20 0.46
CCR2 P41597 4/20 0.45
ALOX5 P09917 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GSK3B P49841 2/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4348279 1.00 SMN1; SMN2 (0.47) SMN1; SMN2DRD2DRD3HTR1DHTR1B
SCHEMBL4357208 0.86 GSK3B (0.49) SMN1; SMN2DRD2DRD3HTR1DHTR1B
SCHEMBL4357217 0.86 GSK3B (0.49) SMN1; SMN2DRD2DRD3HTR1DHTR1B
SCHEMBL4343018 0.83 GSK3B (0.61) SMN1; SMN2KDM4EGSK3BALDH1A1
SCHEMBL4343023 0.83 GSK3B (0.61) SMN1; SMN2KDM4EGSK3BALDH1A1
SCHEMBL4349262 0.82 ALDH1A1 (0.52) SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL4349270 0.82 ALDH1A1 (0.52) SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL4343966 0.81 CLK1 (0.51) DRD2DRD3GSK3B
SCHEMBL4343971 0.81 CLK1 (0.51) DRD2DRD3GSK3B
SCHEMBL4346646 0.79 GPR88 (0.43) SMN1; SMN2GSK3B

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-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP claimed
EP-2070928-A1 7-azaindol-3-ylacrylamides active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.r.l. (IT) 2009-06-17 EP disclosed