SCHEMBL29859618

SCHEMBL29859618

CCOC(=O)Cc1nc2cc3c(cc2[nH]1)CCNCC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.56
▸ CHEK1 O14757 1/20 0.46
▸ MAPT P10636 5/20 0.43
▸ AKT1 P31749 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 2/20 0.38
▸ RAB9A P51151 2/20 0.36
▸ CACNA1G O43497 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PSMD14 O00487 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 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 0.82 HSD17B10 (0.50) HSD17B10CHEK1MAPTAKT1KDM4E
SCHEMBL3382220 0.80 HSD17B10 (0.66) HSD17B10CHEK1MAPTAKT1KDM4E
SCHEMBL30592552 0.80 HSD17B10 (0.47) HSD17B10CHEK1MAPTAKT1KDM4E
SCHEMBL30592547 0.80 HSD17B10 (0.47) HSD17B10CHEK1MAPTAKT1KDM4E
SCHEMBL30592585 0.80 HSD17B10 (0.47) HSD17B10CHEK1MAPTAKT1KDM4E
SCHEMBL30592586 0.80 HSD17B10 (0.47) HSD17B10CHEK1MAPTAKT1KDM4E
SCHEMBL31716653 0.78 HSD17B10 (0.63) HSD17B10CHEK1MAPTAKT1KDM4E
SCHEMBL31735534 0.76 HSD17B10 (0.71) HSD17B10CHEK1MAPTKDM4EALDH1A1
SCHEMBL3840417 0.76 HSD17B10 (0.71) HSD17B10CHEK1MAPTAKT1KDM4E
SCHEMBL3840420 0.76 HSD17B10 (0.71) HSD17B10CHEK1MAPTKDM4EALDH1A1

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
WO-2022188823-A1 TRICYCLIC HPK1 INHIBITOR AND USE THEREOF 山东轩竹医药科技有限公司 2022-09-15 — — WO disclosed
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