SCHEMBL28734074

SCHEMBL28734074

CCOC(=O)Cc1nc2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.48
▸ CHEK2 O96017 3/20 0.44
▸ GPR119 Q8TDV5 2/20 0.43
▸ TLR9 Q9NR96 2/20 0.42
▸ TLR8 Q9NR97 2/20 0.42
▸ TLR7 Q9NYK1 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ WNT3A P56704 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
SCHEMBL13041553 0.85 HSD17B10 (0.54) HSD17B10TLR9TLR8TLR7ALDH1A1
SCHEMBL12820628 0.83 PDE3B (0.51) HSD17B10GPR119ALDH1A1MEN1LMNA
SCHEMBL30565902 0.83 PDE3B (0.51) HSD17B10GPR119ALDH1A1MEN1LMNA
SCHEMBL25779773 0.83 TRPV3 (0.45) HSD17B10TP53POLBALDH1A1MEN1
SCHEMBL30592552 0.80 HSD17B10 (0.47) HSD17B10CHEK2ALDH1A1MEN1LMNA
SCHEMBL30592547 0.80 HSD17B10 (0.47) HSD17B10CHEK2ALDH1A1MEN1LMNA
SCHEMBL28734077 0.80 ALDH1A1 (0.43) HSD17B10TP53POLBALDH1A1MEN1
SCHEMBL14711416 0.78 GPR119 (0.52) GPR119TP53POLBALDH1A1MEN1
SCHEMBL24320252 0.77 DPP4 (0.53) GPR119TLR7TP53POLBPDE4B
SCHEMBL17092664 0.76 PIK3CA (0.51) CHEK2

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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