SCHEMBL23337178

SCHEMBL23337178

CN1C(=O)C(NC(=O)c2noc(Cc3ccccc3)n2)COc2cc(NN)c(N)cc21

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 20/20 0.75
NR1I2 O75469 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL23336820 0.94 RIPK1 (0.79) RIPK1NR1I2CYP2C9
SCHEMBL17312655 0.86 RIPK1 (1.00) RIPK1NR1I2CYP2C9
SCHEMBL15965386 0.86 RIPK1 (1.00) RIPK1NR1I2CYP2C9
SCHEMBL23337055 0.85 RIPK1 (0.77) RIPK1NR1I2CYP2C9
SCHEMBL23337057 0.85 RIPK1 (0.77) RIPK1NR1I2CYP2C9
SCHEMBL23337045 0.85 RIPK1 (0.75) RIPK1
SCHEMBL23337465 0.85 RIPK1 (0.74) RIPK1
SCHEMBL23336648 0.84 RIPK1 (0.75) RIPK1NR1I2CYP2C9
SCHEMBL23336819 0.82 RIPK1 (0.74) RIPK1NR1I2CYP2C9
SCHEMBL23335733 0.82 RIPK1 (0.74) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3816163-A1 CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2021-05-05 EP disclosed