SCHEMBL28734098

SCHEMBL28734098

CCOC(=O)Cc1nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.49
▸ CKS1B P61024 2/20 0.44
▸ SKP1 P63208 2/20 0.44
▸ SKP2 Q13309 2/20 0.44
▸ AKT1 P31749 1/20 0.44
▸ HSD17B10 Q99714 2/20 0.43
▸ PRMT5 O14744 1/20 0.42
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ DDB1 Q16531 1/20 0.40
▸ CRBN Q96SW2 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ KIF18A Q8NI77 1/20 0.40
▸ PGK1 P00558 1/20 0.40
▸ ATM Q13315 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL25779773 0.83 TRPV3 (0.45) HSD17B10PRMT5HPGDSMN1; SMN2KDM4E
SCHEMBL30565902 0.82 PDE3B (0.51) MAP4K4AKT1HSD17B10SMN1; SMN2PDE3B
SCHEMBL12820628 0.82 PDE3B (0.51) MAP4K4AKT1HSD17B10SMN1; SMN2PDE3B
SCHEMBL3381645 0.82 AKT1 (0.65) AKT1HSD17B10HPGDKDM4EALDH1A1
SCHEMBL28734077 0.80 ALDH1A1 (0.43) HSD17B10PRMT5HPGDSMN1; SMN2KDM4E
SCHEMBL30814321 0.79 MAP4K4 (0.48) MAP4K4CKS1BSKP1SKP2PRMT5
SCHEMBL29656798 0.78 GRM2 (0.49) AKT1HSD17B10HPGDKDM4EALDH1A1
SCHEMBL30814292 0.78 MAP4K4 (0.46) MAP4K4CKS1BSKP1SKP2PRMT5
SCHEMBL16347793 0.76 MAP4K4 (0.48) MAP4K4CKS1BSKP1SKP2PRMT5
SCHEMBL29656855 0.75 HSD17B10 (0.40) AKT1HSD17B10PRMT5ALDH1A1GAA

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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