SCHEMBL28476136

SCHEMBL28476136

O=CN1N=CCC1c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.54
▸ CHRNB2 P17787 5/20 0.46
▸ CHRNA4 P43681 5/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CHRNA7 P36544 5/20 0.44
▸ CHRNB4 P30926 2/20 0.43
▸ CHRNA3 P32297 2/20 0.43
▸ CHRNA2 Q15822 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HTR3E A5X5Y0 1/20 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
SCHEMBL20161261 0.82 RIPK1 (0.51) RIPK1ALDH1A1
SCHEMBL20138345 0.82 RIPK1 (0.51) RIPK1ALDH1A1
SCHEMBL28689541 0.82 RIPK1 (0.51) RIPK1ALDH1A1
Hydrochloric Acid SCHEMBL28469788 0.81 RIPK1 (0.50) RIPK1ALDH1A1
SCHEMBL28471929 0.78 RIPK1 (0.36) RIPK1
SCHEMBL13313036 0.76 RIPK1 (0.58) RIPK1CHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL30090447 0.75 CYP2A6 (0.35) RIPK1CYP2A6
SCHEMBL30166293 0.75 RIPK1 (0.55) RIPK1ALDH1A1
SCHEMBL29136717 0.75 CYP2A6 (0.35) RIPK1CYP2A6
SCHEMBL28475136 0.75 RIPK1 (0.38) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4341247-A1 RIP1 MODULATORS INCLUDING AZETIDINE CYCLIC UREAS, PREPARATIONS, AND USES THEREOF Sironax Ltd (KY) 2024-03-27 — — EP disclosed
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
CN-115697991-A Piperazine cyclic ureas 维泰瑞隆有限公司 2023-02-03 — — CN disclosed
WO-2022242581-A1 RIP1 MODULATORS INCLUDING AZETIDINE CYCLIC UREAS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2022-11-24 — — WO disclosed
CN-112370452-A Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 — — CN disclosed
CN-107624111-B Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-11-03 — — CN disclosed
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