SCHEMBL29415736

SCHEMBL29415736

COC(=O)c1ncn(Cc2cccc(C#N)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.52
▸ VNN1 O95497 4/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ CREBBP Q92793 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ CYP11B1 P15538 2/20 0.43
▸ CYP11B2 P19099 2/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ GPR6 P46095 1/20 0.42
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2B Q13224 2/20 0.42
▸ YTHDC1 Q96MU7 1/20 0.41
▸ FAAH O00519 1/20 0.41

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
SCHEMBL19224666 1.00 RIPK1 (0.52) RIPK1VNN1MRGPRX4CREBBPRXFP1
SCHEMBL19207731 0.85 RIPK1 (0.51) RIPK1VNN1CREBBPCYP11B1CYP11B2
SCHEMBL29415636 0.85 RIPK1 (0.51) RIPK1VNN1CREBBPCYP11B1CYP11B2
SCHEMBL30587599 0.82 L3MBTL1 (0.47) RIPK1MRGPRX4GRIN1GRIN2B
SCHEMBL18366875 0.82 HDAC1 (0.48) —
SCHEMBL18366896 0.82 L3MBTL1 (0.47) RIPK1MRGPRX4GRIN1GRIN2B
SCHEMBL30587560 0.82 HDAC1 (0.48) —
SCHEMBL1414421 0.81 KLKB1 (0.50) RIPK1
SCHEMBL31487689 0.77 SLC7A5 (0.46) MRGPRX4YTHDC1
SCHEMBL20594696 0.77 NOTUM (0.58) —

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-118994190-A Inhibitors of receptor interacting protein kinase 1 戴纳立制药公司 2024-11-22 — — CN disclosed
CN-118994191-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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