SCHEMBL20732162

SCHEMBL20732162

CCC(C)(C)[C@H](N[C@@H](CO)c1ccccc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.55
GPR88 Q9GZN0 11/20 0.40
METAP2 P50579 3/20 0.39
METAP1 P53582 3/20 0.39
AURKA O14965 2/20 0.39
RPS6KB1 P23443 2/20 0.39
JAK3 P52333 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ASPH Q12797 1/20 0.37
KDM8 Q8N371 1/20 0.37

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
SCHEMBL23461040 0.89 RIPK1 (0.57) RIPK1GPR88METAP2METAP1KDM4E
SCHEMBL23461042 0.89 RIPK1 (0.57) RIPK1GPR88METAP2METAP1KDM4E
SCHEMBL25279162 0.89 RIPK1 (0.57) RIPK1GPR88METAP2METAP1KDM4E
Hydrochloric Acid SCHEMBL30457769 0.87 RIPK1 (0.56) RIPK1GPR88METAP2METAP1KDM4E
SCHEMBL26606652 0.87 RIPK1 (0.51) RIPK1GPR88METAP2METAP1AURKA
SCHEMBL24361065 0.86 RIPK1 (0.50) RIPK1GPR88METAP2METAP1AURKA
SCHEMBL22308452 0.86 RIPK1 (0.50) RIPK1GPR88METAP2METAP1AURKA
SCHEMBL12564317 0.81 RIPK1 (0.41) RIPK1GPR88METAP2METAP1AURKA
SCHEMBL25469177 0.78 RIPK1 (0.54) RIPK1GPR88METAP2METAP1RPS6KB1
SCHEMBL23460720 0.73 RIPK1 (0.49) RIPK1GPR88METAP2METAP1

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
WO-2019031614-A1 ANTIBODY-DRUG CONJUGATES INCLUDING HEMIASTERLIN DERIVATIVE 大日本住友製薬株式会社 2019-02-14 WO disclosed