SCHEMBL13854136

SCHEMBL13854136

O=C1Cc2cc(-c3cccc4ccccc34)cnc2N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.66
ABL1 P00519 2/20 0.66
GSK3A P49840 2/20 0.66
GSK3B P49841 2/20 0.66
CHEK1 O14757 1/20 0.66
AURKA O14965 1/20 0.66
DAPK3 O43293 1/20 0.66
PRKD3 O94806 1/20 0.66
MAP4K4 O95819 1/20 0.66
NTRK1 P04629 1/20 0.66
CSF1R P07333 1/20 0.66
RET P07949 1/20 0.66
MET P08581 1/20 0.66
PDGFRB P09619 1/20 0.66
PIM1 P11309 1/20 0.66
FGFR1 P11362 1/20 0.66
PDGFRA P16234 1/20 0.66
FLT1 P17948 1/20 0.66
LTK P29376 1/20 0.66
GRK5 P34947 1/20 0.66

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
SCHEMBL5873863 0.80 KDR (1.00) CDK9ABL1GSK3AGSK3BCHEK1
SCHEMBL13854137 0.78 ABL1 (0.74) CDK9ABL1GSK3AGSK3BCHEK1
SCHEMBL3141083 0.74 ABL1 (0.76) CDK9ABL1GSK3AGSK3BCHEK1
SCHEMBL5873962 0.71 ABL1 (0.67) CDK9ABL1GSK3AGSK3BCHEK1
SCHEMBL16090345 0.70 CDK5 (0.67) CDK9ABL1GSK3AGSK3BCHEK1
SCHEMBL23524008 0.69 ABL1 (0.66) CDK9ABL1GSK3AGSK3BCHEK1
SCHEMBL17899314 0.69 CA12 (0.50) CDK9GSK3AGSK3BPDGFRBPIM1
SCHEMBL5873776 0.69 PDGFRB (0.67) CDK9ABL1GSK3AGSK3BCHEK1
SCHEMBL1396298 0.69 ABL1 (0.67) CDK9ABL1GSK3AGSK3BCHEK1
SCHEMBL13854158 0.69 ABL1 (0.67) CDK9ABL1GSK3AGSK3BCHEK1

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
US-7534800-B2 7-azaindoles as inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders EISAI R & D DEVELOPMENT CO., LTD. (JP) 2009-05-19 US disclosed
US-7534800-B2 7-azaindoles as inhibitors of c-Jun N-terminal kinases for the treatment of neurodegenerative disorders EISAI R & D DEVELOPMENT CO., LTD. (JP) 2009-05-19 US disclosed