SCHEMBL4722668

SCHEMBL4722668

COc1cc(OC)cc(-c2nn(-c3cc(N)ccc3C(F)(F)F)c(=O)c3c2CCN3CCO)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 0.37
WDR5 P61964 1/20 0.33
FGFR2 P21802 3/20 0.31
FGFR3 P22607 3/20 0.31
FGFR1 P11362 1/20 0.31
F2 P00734 1/20 0.31

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
SCHEMBL4723684 0.91 WDR5 (0.34) F10WDR5
SCHEMBL4724288 0.88 F10 (0.40) F10WDR5F2
SCHEMBL4721664 0.86 F10 (0.35) F10WDR5F2
SCHEMBL4723157 0.85 F10 (0.32) F10WDR5F2
SCHEMBL4722519 0.84 F10 (0.31) F10WDR5
SCHEMBL4763492 0.84 F10 (0.34) F10F2
SCHEMBL4721689 0.84 F10 (0.38) F10F2
SCHEMBL4724293 0.84 F10 (0.38) F10F2
SCHEMBL4721691 0.84 F10 (0.38) F10F2
SCHEMBL4723688 0.84 S1PR1 (0.35) F10WDR5F2

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed