SCHEMBL25779773

SCHEMBL25779773

CCOC(=O)Cc1nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)nc2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV3 Q8NET8 2/20 0.45
▸ PRMT5 O14744 2/20 0.44
▸ LMNA P02545 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HPGD P15428 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ TP53 P04637 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40

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
SCHEMBL28734077 0.96 ALDH1A1 (0.43) TRPV3PRMT5LMNATHRBALDH1A1
SCHEMBL29656696 0.85 HSD17B10 (0.41) ALDH1A1HSD17B10HPGDKDM4EJAK2
SCHEMBL28734098 0.83 MAP4K4 (0.49) PRMT5ALDH1A1GAASMN1; SMN2HSD17B10
SCHEMBL29656855 0.83 HSD17B10 (0.40) PRMT5LMNAALDH1A1NPSR1MEN1
SCHEMBL28734074 0.83 HSD17B10 (0.48) LMNATHRBALDH1A1NPSR1MEN1
SCHEMBL29656798 0.75 GRM2 (0.49) ALDH1A1HSD17B10HPGDKDM4E
SCHEMBL30565902 0.75 PDE3B (0.51) LMNAALDH1A1MEN1GAAKMT2A
SCHEMBL12820628 0.75 PDE3B (0.51) LMNAALDH1A1MEN1GAAKMT2A
SCHEMBL30592552 0.73 HSD17B10 (0.47) LMNAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL17837831 0.73 ALDH1A1 (0.50) TRPV3PRMT5LMNATHRBALDH1A1

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
WO-2023109902-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF IN MEDICINE 海思科医药集团股份有限公司 2023-06-22 — — WO disclosed
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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