SCHEMBL30765798

SCHEMBL30765798

C[C@@H](Nc1cnc(-c2cn[nH]c2)n(CC(=O)OC(C)(C)C)c1=O)c1ccc2oc3ccccc3c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 7/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ROCK2 O75116 4/20 0.33
ROCK1 Q13464 4/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL30765991 0.92 ELANE (0.42) ELANEJAK2JAK1JAK3KDM4E
SCHEMBL30765585 0.90 ELANE (0.37) ELANEROCK2ROCK1NPSR1RXFP1
SCHEMBL30765763 0.89 ELANE (0.38) ELANEJAK2JAK1JAK3KDM4E
SCHEMBL31558524 0.89 ELANE (0.35) ELANEKDM4EALDH1A1ROCK2ROCK1
SCHEMBL30765556 0.88 GAA (0.42) ELANEALDH1A1ACACBACACARXFP1
SCHEMBL30765957 0.85 ALDH1A1 (0.38) ELANEJAK2JAK1JAK3KDM4E
SCHEMBL30765960 0.84 ELANE (0.36) ELANEKDM4EALDH1A1LMNA
SCHEMBL30765941 0.84 ALDH1A1 (0.37) JAK2JAK1JAK3KDM4EALDH1A1
SCHEMBL30765995 0.84 ALDH1A1 (0.37) JAK2JAK1JAK3KDM4EALDH1A1
SCHEMBL30765931 0.84 ALDH1A1 (0.37) JAK2JAK1JAK3KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed