SCHEMBL29415636

SCHEMBL29415636

N#Cc1cccc(Cn2cnc(C(=O)O)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 2/20 0.51
▸ CYP19A1 P11511 1/20 0.47
▸ CYP11B1 P15538 1/20 0.47
▸ CYP11B2 P19099 1/20 0.47
▸ CCR2 P41597 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ FAAH O00519 1/20 0.44
▸ VNN1 O95497 2/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ ALKBH1 Q13686 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ FFAR1 O14842 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.43
▸ CREBBP Q92793 1/20 0.42
▸ ERCC5 P28715 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ ITK Q08881 1/20 0.41
▸ ADRA1D P25100 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
SCHEMBL19207731 1.00 RIPK1 (0.51) RIPK1CYP19A1CYP11B1CYP11B2CCR2
SCHEMBL19224666 0.85 RIPK1 (0.52) RIPK1CYP19A1CYP11B1CYP11B2FAAH
SCHEMBL29415736 0.85 RIPK1 (0.52) RIPK1CYP19A1CYP11B1CYP11B2FAAH
SCHEMBL13529255 0.84 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2HDAC1HDAC6
SCHEMBL1414358 0.80 KLKB1 (0.49) RIPK1CYP19A1HDAC1HDAC6
SCHEMBL18366879 0.80 HDAC1 (0.49) CYP11B1CYP11B2CCR2HDAC1HDAC6
SCHEMBL30092734 0.80 HDAC1 (0.49) CYP11B1CYP11B2CCR2HDAC1HDAC6
SCHEMBL30587649 0.80 KDM4C (0.49) RIPK1CYP11B1CYP11B2HDAC1HDAC6
SCHEMBL18366899 0.80 KDM4C (0.49) RIPK1CYP11B1CYP11B2HDAC1HDAC6
SCHEMBL24991855 0.78 CYP19A1 (0.48) CYP19A1CYP11B1CYP11B2CCR2ALDH1A1

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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