SCHEMBL20054480

SCHEMBL20054480

O=C(NCc1ncc(-c2ccc3cc(-c4ccc5cc(-c6cnc(CNC(=O)C7CCC(F)(F)CC7)[nH]6)ccc5c4)ccc3c2)[nH]1)C1CCC(F)(F)CC1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.61
DYRK1A Q13627 10/20 0.61
WNT1 P04628 8/20 0.48
ABL1 P00519 10/20 0.44

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
SCHEMBL20054419 0.97 GSK3B (0.60) GSK3BDYRK1AWNT1ABL1
SCHEMBL20054523 0.92 GSK3B (0.53) GSK3BDYRK1AWNT1ABL1
SCHEMBL20054436 0.91 GSK3B (0.51) GSK3BDYRK1AWNT1ABL1
SCHEMBL20221566 0.90 GSK3B (0.53) GSK3BDYRK1AWNT1ABL1
SCHEMBL20054396 0.90 GSK3B (0.55) GSK3BDYRK1AWNT1ABL1
SCHEMBL20054363 0.88 GSK3B (0.49) GSK3BDYRK1AWNT1ABL1
SCHEMBL20054412 0.86 GSK3B (0.49) GSK3BDYRK1AWNT1
SCHEMBL20054417 0.86 GSK3B (0.49) GSK3BDYRK1AWNT1ABL1
SCHEMBL20054445 0.86 GSK3B (0.48) GSK3BDYRK1AWNT1
SCHEMBL20054567 0.86 GSK3B (0.48) GSK3BDYRK1AWNT1

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
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed