SCHEMBL7013172

SCHEMBL7013172

NCC1CCN(c2cc3c(cc2F)c(=O)n(OC(=O)C(F)(F)F)c(=O)n3C2CC2)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 8/20 0.47
KCNH2 Q12809 2/20 0.40
PRKD3 O94806 1/20 0.36
PIM1 P11309 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
IRAK1 P51617 1/20 0.36
RPS6KA3 P51812 1/20 0.36
DYRK1A Q13627 1/20 0.36
PIM3 Q86V86 1/20 0.36
CSNK1G3 Q9Y6M4 1/20 0.36
RBP4 P02753 1/20 0.35
TTR P02766 1/20 0.35

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
SCHEMBL7013934 0.85 PRKD3 (0.39) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL7015316 0.83 GSK3B (0.34) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL6795074 0.82 TOP1 (0.54) TOP1KCNH2PRKD3PIM1GSK3A
SCHEMBL4517467 0.81 TOP1 (0.65) TOP1KCNH2PRKD3PIM1GSK3A
Hydrochloric Acid SCHEMBL4524334 0.80 TOP1 (0.64) TOP1KCNH2PRKD3PIM1GSK3A
SCHEMBL7010855 0.77 KDM4E (0.41) TOP1
SCHEMBL7535211 0.77 KDM4E (0.41) TOP1
SCHEMBL7011369 0.76 PRKD3 (0.43) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL7014855 0.72 TOP1 (0.42) TOP1PRKD3PIM1GSK3AGSK3B
SCHEMBL7008713 0.71 TOP1 (0.41) 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