SCHEMBL25878873

SCHEMBL25878873

CN1C(=O)[C@@H](N)COc2ccc(C#Cc3cccnc3)cc21

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 18/20 0.55
▸ GRM5 P41594 2/20 0.43

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
SCHEMBL25586729 0.88 RIPK1 (0.56) RIPK1GRM5
SCHEMBL25586414 0.87 RIPK1 (0.44) RIPK1
SCHEMBL23085493 0.85 RIPK1 (0.65) RIPK1
SCHEMBL29271479 0.84 RIPK1 (0.44) RIPK1
Hydrochloric Acid SCHEMBL30986682 0.83 RIPK1 (0.44) RIPK1
SCHEMBL24076721 0.82 RIPK1 (0.56) RIPK1
SCHEMBL24076698 0.82 TDP1 (0.44) RIPK1
SCHEMBL24076700 0.81 RIPK1 (0.41) RIPK1
SCHEMBL22968464 0.80 RIPK1 (0.54) RIPK1
SCHEMBL25587241 0.80 GRM5 (0.45) RIPK1GRM5

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
WO-2023138317-A1 COMPOUND HAVING RIPK1 INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2023-07-27 — — WO disclosed
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