SCHEMBL30385844

SCHEMBL30385844

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

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.46
▸ MDM2 Q00987 1/20 0.45
▸ TLR2 O60603 2/20 0.44
▸ MDM4 O15151 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ CASP3 P42574 1/20 0.42

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
SCHEMBL30385583 0.95 MDM2 (0.48) KMT2AMDM2MDM4TP53CASP3
SCHEMBL30403561 0.95 MDM2 (0.48) KMT2AMDM2MDM4TP53CASP3
SCHEMBL28982176 0.95 MDM2 (0.48) KMT2AMDM2MDM4TP53CASP3
SCHEMBL28982175 0.95 MDM2 (0.48) KMT2AMDM2MDM4TP53CASP3
SCHEMBL30385972 0.91 MDM2 (0.45) KMT2AMDM2TLR2MDM4TP53
SCHEMBL5631124 0.91 KMT2A (0.47) KMT2AMDM2TLR2MDM4TP53
SCHEMBL5631131 0.91 KMT2A (0.47) KMT2AMDM2TLR2MDM4TP53
SCHEMBL31655377 0.88 KMT2A (0.53) KMT2AMDM2TLR2MDM4TP53
SCHEMBL5566356 0.88 KMT2A (0.53) KMT2AMDM2TLR2MDM4TP53
SCHEMBL30229675 0.88 KMT2A (0.53) KMT2AMDM2TLR2MDM4TP53

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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