SCHEMBL22779659

SCHEMBL22779659

Cc1cccc(C2CC=NN2C(=O)C(C)(C)C)c1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 19/20 0.75
▸ NPC1 O15118 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ GAA P10253 1/20 0.51

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
SCHEMBL18248309 0.86 RIPK1 (1.00) RIPK1
SCHEMBL18248420 0.86 RIPK1 (1.00) RIPK1
SCHEMBL30018199 0.86 RIPK1 (1.00) RIPK1
SCHEMBL30018512 0.86 RIPK1 (1.00) RIPK1
SCHEMBL18255052 0.86 RIPK1 (1.00) RIPK1
SCHEMBL18248275 0.85 RIPK1 (1.00) RIPK1
SCHEMBL18248359 0.85 RIPK1 (1.00) RIPK1
SCHEMBL18248332 0.83 RIPK1 (1.00) RIPK1ALDH1A1
SCHEMBL18248385 0.83 RIPK1 (0.69) RIPK1
SCHEMBL30017968 0.83 RIPK1 (0.69) 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-3298002-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-12-16 — — EP disclosed
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