SCHEMBL31064985

SCHEMBL31064985

O=C(c1ccc(-c2cc3cccnc3[nH]2)cc1)N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 17/20 1.00
L3MBTL1 Q9Y468 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MKNK1 Q9BUB5 1/20 0.58
MKNK2 Q9HBH9 1/20 0.58
RAD52 P43351 1/20 0.54
UBE2N P61088 1/20 0.54

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
SCHEMBL31064967 0.89 RIPK1 (1.00) RIPK1
SCHEMBL31064959 0.87 RIPK1 (1.00) RIPK1
SCHEMBL31064953 0.87 RIPK1 (1.00) RIPK1MKNK1MKNK2
SCHEMBL31428565 0.75 RIPK1 (0.60) RIPK1L3MBTL1KDM4EMKNK1MKNK2
SCHEMBL31043131 0.75 RIPK1 (0.60) RIPK1L3MBTL1KDM4EMKNK1MKNK2
SCHEMBL19145573 0.75 RIPK1 (0.59) RIPK1L3MBTL1KDM4EMKNK1MKNK2
SCHEMBL19126755 0.73 RIPK1 (0.57) RIPK1L3MBTL1KDM4EMKNK1MKNK2
SCHEMBL8260488 0.73 SIGMAR1 (0.72) RIPK1L3MBTL1KDM4EMKNK1MKNK2
SCHEMBL18741322 0.72 RIPK1 (1.00) RIPK1
SCHEMBL31064952 0.72 RIPK1 (0.67) 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-118344359-A RIPK1 kinase targeted inhibitor and application thereof 中国药科大学 2024-07-16 CN disclosed