SCHEMBL29136717

SCHEMBL29136717

Cc1cncc(C2CC=NN2C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.35
▸ RIPK1 Q13546 6/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL30090447 1.00 CYP2A6 (0.35) CYP2A6RIPK1HCAR2
SCHEMBL30090297 0.82 RIPK1 (0.38) RIPK1
SCHEMBL28475136 0.82 RIPK1 (0.38) RIPK1
SCHEMBL28938984 0.79 ALDH1A1 (0.43) RIPK1
SCHEMBL29136680 0.78 RIPK1 (0.46) RIPK1
SCHEMBL30090358 0.78 RIPK1 (0.46) RIPK1
SCHEMBL28476136 0.75 RIPK1 (0.54) CYP2A6RIPK1
SCHEMBL28471929 0.73 RIPK1 (0.36) RIPK1
SCHEMBL18248431 0.72 RIPK1 (0.67) RIPK1
SCHEMBL22638823 0.72 RIPK1 (0.51) 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
CN-117355506-A RIP1 modulators comprising azetidine cyclic ureas, preparation and use thereof 维泰瑞隆有限公司 2024-01-05 — — CN disclosed
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