SCHEMBL19207981

SCHEMBL19207981

O=C(O)NC1CNc2ncccc2OC1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 8/20 0.45
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.37
P2RX7 Q99572 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 2/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SCN9A Q15858 1/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL21496628 0.80 RIPK1 (0.62) RIPK1NPC1
SCHEMBL21496629 0.80 RIPK1 (0.62) RIPK1NPC1
SCHEMBL29595719 0.79 EPHX2 (0.42) RIPK1NPC1HPGDTSHRHTT
SCHEMBL18475831 0.72 LTA4H (0.36) RIPK1MEN1KMT2ANPC1ALDH1A1
SCHEMBL22509079 0.72 LTA4H (0.37) RIPK1MEN1KMT2ANPC1ALDH1A1
SCHEMBL19859198 0.71 RIPK1 (0.41) RIPK1MEN1KMT2ANPC1ALDH1A1
SCHEMBL28148475 0.68 TP53 (0.57) P2RX7MAPK1
SCHEMBL19207591 0.66 GAA (0.54) RIPK1
SCHEMBL29595441 0.66 GAA (0.54) RIPK1
SCHEMBL19207593 0.66 GAA (0.54) RIPK1

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