SCHEMBL29656826

SCHEMBL29656826

CCOC(=O)Cc1nc2nc(N3CC4(CN(C(=O)OC(C)(C)C)C4)C3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ DGAT2 Q96PD7 5/20 0.42
▸ CHEK1 O14757 1/20 0.39
▸ AKT1 P31749 1/20 0.39
▸ ACACB O00763 6/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ RET P07949 1/20 0.36
▸ EIF2AK4 Q9P2K8 1/20 0.35
▸ CYP11B2 P19099 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
SCHEMBL3381643 0.76 AKT1 (0.65) PRMT5HSD17B10DGAT2CHEK1AKT1
SCHEMBL28734098 0.74 MAP4K4 (0.49) PRMT5HSD17B10AKT1GPR119
SCHEMBL31368898 0.72 P2RY12 (0.50) GPR119RETEIF2AK4
SCHEMBL12820628 0.71 PDE3B (0.51) HSD17B10CHEK1AKT1GPR119
SCHEMBL30565902 0.71 PDE3B (0.51) HSD17B10CHEK1AKT1GPR119
SCHEMBL18163251 0.71 PRMT5 (0.58) PRMT5DGAT2GPR119
SCHEMBL29656913 0.70 MAP4K4 (0.48) GPR119RETEIF2AK4CYP11B2
SCHEMBL29461507 0.69 PDE10A (0.54) GPR119CYP11B2
SCHEMBL30592552 0.69 HSD17B10 (0.47) HSD17B10CHEK1AKT1L3MBTL1
SCHEMBL30592547 0.69 HSD17B10 (0.47) HSD17B10CHEK1AKT1L3MBTL1

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-109721620-B HPK1 inhibitors and uses thereof 药捷安康(南京)科技股份有限公司 2022-05-13 — — CN disclosed
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