SCHEMBL30504872

SCHEMBL30504872

Nc1ncnc2c1ccn2-c1ccc(CNC(=O)c2n[nH]c(Cc3ccccc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 3/20 0.52
▸ RIPK1 Q13546 13/20 0.46
▸ SCD O00767 1/20 0.43
▸ METTL3 Q86U44 1/20 0.40
▸ RET P07949 1/20 0.39
▸ KDR P35968 1/20 0.39

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
SCHEMBL25310332 1.00 KLKB1 (0.52) KLKB1RIPK1SCDMETTL3RET
SCHEMBL25884663 0.84 SCD (0.43) KLKB1RIPK1SCDMETTL3RET
SCHEMBL25312468 0.81 MKNK2 (0.46) METTL3KDR
SCHEMBL25882817 0.80 MMP13 (0.43) RETKDR
SCHEMBL29484995 0.79 KLKB1 (0.49) KLKB1RIPK1METTL3
SCHEMBL25883660 0.79 KLKB1 (0.49) KLKB1RIPK1METTL3
SCHEMBL25883694 0.79 SMN1; SMN2 (0.48) RIPK1METTL3RET
SCHEMBL25884695 0.79 METTL3 (0.34) KLKB1METTL3RETKDR
SCHEMBL25309990 0.78 NR3C1 (0.46) KLKB1METTL3
SCHEMBL29484999 0.78 MMP13 (0.43) KLKB1RIPK1METTL3RETKDR

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
EP-4215532-A1 PROGRAMMED CELL NECROSIS INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2023-07-26 — — EP disclosed
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