SCHEMBL30385972

SCHEMBL30385972

COC(=O)[C@@H](N)CNC(=O)OC(C)(C)C.COC(=O)[C@H](CNC(=O)OC(C)(C)C)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.45
▸ MDM4 O15151 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TLR2 O60603 2/20 0.42
▸ CASP3 P42574 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
SCHEMBL28982176 0.94 MDM2 (0.48) MDM2MDM4TP53KMT2ACASP3
SCHEMBL28982175 0.94 MDM2 (0.48) MDM2MDM4TP53KMT2ACASP3
SCHEMBL30403561 0.94 MDM2 (0.48) MDM2MDM4TP53KMT2ACASP3
SCHEMBL30385583 0.94 MDM2 (0.48) MDM2MDM4TP53KMT2ACASP3
SCHEMBL30385844 0.91 KMT2A (0.46) MDM2MDM4TP53KMT2ATLR2
SCHEMBL5631131 0.90 KMT2A (0.47) MDM2MDM4TP53KMT2ATLR2
SCHEMBL5631124 0.90 KMT2A (0.47) MDM2MDM4TP53KMT2ATLR2
SCHEMBL23080684 0.86 MDM2 (0.43) MDM2MDM4TP53KMT2ACASP3
SCHEMBL1105517 0.86 MDM2 (0.46) MDM2MDM4TP53KMT2ATLR2
SCHEMBL12361310 0.86 MDM2 (0.46) MDM2MDM4TP53KMT2ATLR2

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-4161931-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2023-04-12 — — EP disclosed
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