SCHEMBL30592552

SCHEMBL30592552

CCOC(=O)Cc1nc2cc3c(cc2[nH]1)CCN(C(=O)OC(C)(C)C)CC3

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.47
▸ ESR2 Q92731 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ CHEK1 O14757 1/20 0.40
▸ NR1H2 P55055 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ PTK2 Q05397 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CHEK2 O96017 2/20 0.36
▸ PDE3B Q13370 1/20 0.36

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
SCHEMBL30592547 1.00 HSD17B10 (0.47) HSD17B10ESR2AKT1CHEK1NR1H2
SCHEMBL30592571 0.89 HSD17B10 (0.50) HSD17B10AKT1CHEK1KDM4EALDH1A1
SCHEMBL30592585 0.86 HSD17B10 (0.47) HSD17B10AKT1CHEK1KDM4EALDH1A1
SCHEMBL30565902 0.82 PDE3B (0.51) HSD17B10AKT1CHEK1NAMPTKDM4E
SCHEMBL12820628 0.82 PDE3B (0.51) HSD17B10AKT1CHEK1NAMPTKDM4E
SCHEMBL28734074 0.80 HSD17B10 (0.48) HSD17B10NAMPTKDM4EALDH1A1HPGD
SCHEMBL29859618 0.80 HSD17B10 (0.56) HSD17B10AKT1CHEK1KDM4EALDH1A1
SCHEMBL30592586 0.78 HSD17B10 (0.47) HSD17B10AKT1CHEK1KDM4EALDH1A1
SCHEMBL28734098 0.74 MAP4K4 (0.49) HSD17B10AKT1NAMPTKDM4EALDH1A1
SCHEMBL25779773 0.73 TRPV3 (0.45) HSD17B10KDM4EALDH1A1HPGDJAK2

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-116888127-A Tri-fused ring HPK1 inhibitor and application thereof 轩竹生物科技股份有限公司 2023-10-13 — — CN disclosed
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