SCHEMBL28982176

SCHEMBL28982176

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

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.48
▸ MDM4 O15151 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CASP3 P42574 1/20 0.45
▸ SYK P43405 1/20 0.45
▸ KMT2A Q03164 2/20 0.45

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
SCHEMBL28982175 1.00 MDM2 (0.48) MDM2MDM4TP53CASP3SYK
SCHEMBL30403561 1.00 MDM2 (0.48) MDM2MDM4TP53CASP3SYK
SCHEMBL30385583 1.00 MDM2 (0.48) MDM2MDM4TP53CASP3SYK
SCHEMBL5631124 0.96 KMT2A (0.47) MDM2MDM4TP53KMT2A
SCHEMBL5631131 0.96 KMT2A (0.47) MDM2MDM4TP53KMT2A
SCHEMBL30385844 0.95 KMT2A (0.46) MDM2MDM4TP53CASP3KMT2A
SCHEMBL30385972 0.94 MDM2 (0.45) MDM2MDM4TP53CASP3KMT2A
SCHEMBL23080684 0.92 MDM2 (0.43) MDM2MDM4TP53CASP3SYK
SCHEMBL12757436 0.91 MDM2 (0.54) MDM2MDM4TP53CASP3SYK
SCHEMBL4600320 0.91 MDM2 (0.54) MDM2MDM4TP53CASP3SYK

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-115916784-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2023-04-04 — — CN disclosed
Send feedback