SCHEMBL10976342

SCHEMBL10976342

CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(Cl)cc3n21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.63
GSK3A P49840 3/20 0.63
PIM3 Q86V86 3/20 0.63
GSK3B P49841 2/20 0.63
PRKD3 O94806 1/20 0.63
IRAK1 P51617 1/20 0.63
RPS6KA3 P51812 1/20 0.63
DYRK1A Q13627 1/20 0.63
CSNK1G3 Q9Y6M4 1/20 0.63
CSNK1G1 Q9HCP0 1/20 0.53
LMNA P02545 1/20 0.40
TOP2A P11388 1/20 0.37
TOP2B Q02880 1/20 0.37
PIM2 Q9P1W9 4/20 0.35
KDM4E B2RXH2 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL10979792 0.86 PIM1 (0.63) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL10740101 0.84 PIM1 (0.47) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL10738791 0.84 PIM1 (0.47) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL10744186 0.83 PIM1 (0.47) PIM1GSK3APIM3GSK3BPRKD3
Dimethylamine SCHEMBL10740517 0.83 PIM1 (0.47) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL10742777 0.83 PIM1 (0.46) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL4252158 0.82 LMNA (0.52) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL10979020 0.81 PIM1 (0.73) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL9615164 0.80 PIM1 (0.72) PIM1GSK3APIM3GSK3BPRKD3
SCHEMBL10741051 0.78 PIM1 (0.54) PIM1GSK3APIM3GSK3BPRKD3

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-4550104-A Antibacterial thiazolo-quinolines and thiazolo-naphthyridines WARNER-LAMBERT COMPANY (US) 1985-10-29 US disclosed