SCHEMBL30592585

SCHEMBL30592585

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.47
▸ AKT1 P31749 1/20 0.41
▸ CHEK1 O14757 1/20 0.40
▸ MAPT P10636 3/20 0.36
▸ MAP3K5 Q99683 4/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ RHEB Q15382 1/20 0.35
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34

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
SCHEMBL30592571 0.89 HSD17B10 (0.50) HSD17B10AKT1CHEK1MAPTMAP3K5
SCHEMBL30592552 0.86 HSD17B10 (0.47) HSD17B10AKT1CHEK1MAPTKMT2A
SCHEMBL30592547 0.86 HSD17B10 (0.47) HSD17B10AKT1CHEK1MAPTKMT2A
SCHEMBL29859618 0.80 HSD17B10 (0.56) HSD17B10AKT1CHEK1MAPTKMT2A
SCHEMBL30592586 0.78 HSD17B10 (0.47) HSD17B10AKT1CHEK1MAPTLMNA
SCHEMBL3382220 0.73 HSD17B10 (0.66) HSD17B10AKT1CHEK1MAPTKMT2A
SCHEMBL18341944 0.71 HSD17B10 (0.51) HSD17B10AKT1CHEK1MAPTLMNA
SCHEMBL31716653 0.71 HSD17B10 (0.63) HSD17B10AKT1CHEK1MAPTLMNA
SCHEMBL18341894 0.69 HSD17B10 (0.55) HSD17B10MAPTKMT2AMEN1LMNA
SCHEMBL25780379 0.69 HSD17B10 (0.49) HSD17B10AKT1CHEK1MAPTKMT2A

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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