SCHEMBL7008713

SCHEMBL7008713

NC1CCN(c2cc3c(cc2F)c(=O)n(OC(=O)C(F)(F)F)c(=O)n3-c2ccc(F)c(Cl)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 5/20 0.41
PRKD3 O94806 1/20 0.40
PIM1 P11309 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
IRAK1 P51617 1/20 0.40
RPS6KA3 P51812 1/20 0.40
DYRK1A Q13627 1/20 0.40
PIM3 Q86V86 1/20 0.40
CSNK1G3 Q9Y6M4 1/20 0.40
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
F10 P00742 2/20 0.37
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
CHRM2 P08172 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
SCHEMBL7014855 0.88 TOP1 (0.42) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL7011369 0.86 PRKD3 (0.43) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL6806741 0.84 PIM1 (0.43) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL7013934 0.75 PRKD3 (0.39) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL7007951 0.74 MEN1 (0.50) ALDH1A1KMT2A
SCHEMBL6797144 0.73 PRKD3 (0.45) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL6800903 0.72 F10 (0.40) TOP1PIM1PIM3TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL7006179 0.72 PRKD3 (0.44) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL7013172 0.71 TOP1 (0.47) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL6798617 0.71 PRKD3 (0.44) TOP1PRKD3PIM1GSK3AGSK3B

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
EP-1028950-B1 7-SUBSTITUTED QUINAZOLIN-2,4-DIONES USEFUL AS ANTIBACTERIAL AGENTS WARNER LAMBERT CO (US) 2003-05-02 EP claimed