SCHEMBL31339130

SCHEMBL31339130

CCn1c(-c2ccncc2)nc2c(N3CCOCC3)nc(-n3cc(-c4ccccc4)c(C(=O)OC(C)(C)C)n3)nc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 17/20 0.43
▸ KDM4E B2RXH2 16/20 0.43
▸ HPGD P15428 14/20 0.43
▸ HSD17B10 Q99714 14/20 0.43
▸ CYP3A4 P08684 9/20 0.43
▸ TSHR P16473 4/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35

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
SCHEMBL25735409 0.92 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL30440040 0.92 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL25733234 0.87 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL31730838 0.87 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL25236829 0.85 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL25234378 0.85 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL25236542 0.84 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL31339125 0.83 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL31730914 0.81 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL25733240 0.81 KDM4E (0.50) ALDH1A1KDM4EHPGDHSD17B10CYP3A4

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-119031913-A Purine and methods of use thereof 奇尼塔公司 2024-11-26 — — CN disclosed
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