SCHEMBL20477274

SCHEMBL20477274

CN1C(=O)[C@@H](N2CCc3cn(CC4CCS(O)(O)C4)nc3C2=O)COc2ccccc21

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 20/20 0.84
BMPR1B O00238 3/20 0.81
CDC7 O00311 3/20 0.81
PIK3CD O00329 3/20 0.81
PLK4 O00444 3/20 0.81
CIT O14578 3/20 0.81
CHEK1 O14757 3/20 0.81
IKBKB O14920 3/20 0.81
CASK O14936 3/20 0.81
AURKA O14965 3/20 0.81
GAK O14976 3/20 0.81
MAST4 O15021 3/20 0.81
CHUK O15111 3/20 0.81
MUSK O15146 3/20 0.81
MAPK13 O15264 3/20 0.81
PDPK1 O15530 3/20 0.81
MAP3K13 O43283 3/20 0.81
DAPK3 O43293 3/20 0.81
MAP3K7 O43318 3/20 0.81
RIPK2 O43353 3/20 0.81

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
SCHEMBL20477265 0.95 RIPK1 (0.86) RIPK1BMPR1BCDC7PIK3CDPLK4
SCHEMBL20477276 0.91 RIPK1 (1.00) RIPK1BMPR1BCDC7PIK3CDPLK4
Tp-030N SCHEMBL20477267 0.90 RIPK1 (1.00) RIPK1BMPR1BCDC7PIK3CDPLK4
SCHEMBL20477343 0.89 RIPK1 (0.93) RIPK1BMPR1BCDC7PIK3CDPLK4
SCHEMBL20477231 0.88 RIPK1 (1.00) RIPK1BMPR1BCDC7PIK3CDPLK4
SCHEMBL20477363 0.88 RIPK1 (0.97) RIPK1BMPR1BCDC7PIK3CDPLK4
SCHEMBL20477457 0.86 RIPK1 (0.84) RIPK1BMPR1BCDC7PIK3CDPLK4
SCHEMBL20549212 0.86 RIPK1 (0.63) RIPK1BMPR1BCDC7PIK3CDPLK4
SCHEMBL20549344 0.85 RIPK1 (0.87) RIPK1BMPR1BCDC7PIK3CDPLK4
SCHEMBL20477384 0.84 RIPK1 (0.80) RIPK1BMPR1BCDC7PIK3CDPLK4

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-3366684-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-09-02 EP disclosed
EP-3366684-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2018-08-29 EP disclosed