SCHEMBL10986147

SCHEMBL10986147

CC1CSc2c(C(=O)O)c(=O)c3cc(F)c(N4CCC(N)C4)cc3n21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 1.00
GSK3A P49840 2/20 1.00
GSK3B P49841 2/20 1.00
PIM3 Q86V86 2/20 1.00
PRKD3 O94806 1/20 1.00
IRAK1 P51617 1/20 1.00
RPS6KA3 P51812 1/20 1.00
DYRK1A Q13627 1/20 1.00
CSNK1G3 Q9Y6M4 1/20 1.00
CSNK1G1 Q9HCP0 1/20 0.71
TOP1 P11387 6/20 0.47
LMNA P02545 3/20 0.46
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 4/20 0.38
POLB P06746 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
KDM4E B2RXH2 3/20 0.38

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
SCHEMBL10976982 0.88 PIM1 (0.79) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9617590 0.87 PIM1 (0.77) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9617588 0.87 PIM1 (0.77) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9693620 0.87 PIM1 (0.77) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL10979020 0.85 PIM1 (0.73) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL10976483 0.84 PIM1 (0.73) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL9615164 0.84 PIM1 (0.72) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL10979207 0.84 PIM1 (0.72) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL10976381 0.83 PIM1 (0.71) PIM1GSK3AGSK3BPIM3PRKD3
SCHEMBL10976636 0.83 PIM1 (0.71) PIM1GSK3AGSK3BPIM3PRKD3

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