SCHEMBL30565902

SCHEMBL30565902

CCOC(=O)Cc1nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.51
▸ PDE3A Q14432 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.50
▸ NAMPT P43490 1/20 0.45
▸ MAPT P10636 4/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ AKT1 P31749 1/20 0.43
▸ SIRT2 Q8IXJ6 2/20 0.43
▸ SIRT1 Q96EB6 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PDK2 Q15119 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL12820628 1.00 PDE3B (0.51) PDE3BPDE3AHSD17B10NAMPTMAPT
SCHEMBL985935 0.85 HSD17B10 (0.57) PDE3BPDE3AHSD17B10MAPTAKT1
SCHEMBL25780156 0.84 HSD17B10 (0.56) PDE3BPDE3AHSD17B10MAPTAKT1
SCHEMBL3383472 0.84 HSD17B10 (0.58) PDE3BPDE3AHSD17B10MAPTMAPK1
SCHEMBL28734074 0.83 HSD17B10 (0.48) HSD17B10NAMPTMAPTLMNAALDH1A1
SCHEMBL3378290 0.83 AKT1 (0.62) PDE3BPDE3AHSD17B10MAPTAKT1
SCHEMBL25780858 0.82 HSD17B10 (0.54) PDE3BPDE3AHSD17B10MAPTAKT1
SCHEMBL25780664 0.82 HSD17B10 (0.56) PDE3BPDE3AHSD17B10MAPTAKT1
SCHEMBL28734098 0.82 MAP4K4 (0.49) PDE3BPDE3AHSD17B10NAMPTMAPT
SCHEMBL20293286 0.82 HSD17B10 (0.53) PDE3BPDE3AHSD17B10MAPTAKT1

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-113214287-B HPK1 inhibitors and methods of use thereof 大学健康网络 2023-10-20 — — CN disclosed
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