SCHEMBL19207650

SCHEMBL19207650

O=C(O)NC1CCc2ccccc2NC1=S

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYGL P06737 5/20 0.49
PYGM P11217 5/20 0.49
RIPK1 Q13546 12/20 0.46
SMYD3 Q9H7B4 1/20 0.40
NPC1 O15118 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL4232147 0.84 PYGL (0.66) PYGLPYGMRIPK1
SCHEMBL4216634 0.84 PYGL (0.66) PYGLPYGMRIPK1
SCHEMBL1976547 0.84 PYGL (0.66) PYGLPYGMRIPK1
SCHEMBL19207722 0.81 CA1 (0.47) RIPK1
SCHEMBL1977227 0.81 CA1 (0.47) RIPK1
SCHEMBL1975329 0.81 CA1 (0.47) RIPK1
SCHEMBL8880599 0.80 RIPK1 (0.43) PYGLPYGMRIPK1
SCHEMBL19805459 0.79 PYGL (0.41) PYGLPYGMRIPK1NPC1MAPK13
SCHEMBL22469203 0.76 PYGL (0.57) PYGLPYGMRIPK1
SCHEMBL26167122 0.76 PYGL (0.38) PYGLPYGMRIPK1NPC1MAPK13

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-3414239-A2 INHIBITORS OF RECEPTOR-INTERACTING PROTEIN KINASE 1 Denali Therapeutics Inc. (US) 2018-12-19 EP disclosed
WO-2017136727-A2 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2017-08-10 WO disclosed