SCHEMBL29415753

SCHEMBL29415753

CN1C(=O)C(N=[N+]=[N-])CCc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 12/20 0.41
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ MTNR1A P48039 1/20 0.34
▸ CHRM1 P11229 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ HRH1 P35367 1/20 0.32

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
SCHEMBL19224614 1.00 RIPK1 (0.41) RIPK1HTR2AHTR2CHTR2BMTNR1A
SCHEMBL19224668 0.81 RIPK1 (0.39) RIPK1
SCHEMBL29415690 0.81 RIPK1 (0.39) RIPK1
SCHEMBL14019273 0.80 RIPK1 (0.40) RIPK1CHRM1DRD2CCNA2CDK2
SCHEMBL30092800 0.80 RIPK1 (0.40) RIPK1CHRM1DRD2CCNA2CDK2
SCHEMBL29415730 0.76 RIPK1 (0.45) RIPK1HTR2AHTR2CHTR2BMTNR1A
SCHEMBL19224615 0.76 RIPK1 (0.45) RIPK1HTR2AHTR2CHTR2BMTNR1A
SCHEMBL19224616 0.76 RIPK1 (0.45) RIPK1HTR2AHTR2CHTR2BMTNR1A
SCHEMBL29415671 0.76 RIPK1 (0.45) RIPK1HTR2AHTR2CHTR2BMTNR1A
SCHEMBL19224595 0.76 RIPK1 (0.45) RIPK1HTR2AHTR2CHTR2BMTNR1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994191-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-11-22 — — CN disclosed
CN-118994190-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-11-22 — — CN disclosed
CN-114437105-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-10-11 — — CN disclosed
CN-114437105-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-05-06 — — CN disclosed
CN-109071504-B Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2022-03-08 — — CN disclosed
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