SCHEMBL6629158

SCHEMBL6629158

COC(=O)c1cccc2c1[nH]c1ccc3cc[nH]c(=O)c3c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 3/20 0.46
CHEK1 O14757 2/20 0.46
PIM1 P11309 2/20 0.45
MPL P40238 1/20 0.41
JAK2 O60674 1/20 0.40
NR4A2 P43354 4/20 0.40
CREBBP Q92793 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 3/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIMK1 P53667 1/20 0.37

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
SCHEMBL6624281 0.77 PIM3 (0.42) PIM3PIM1MPLJAK2NR4A2
SCHEMBL6622666 0.75 LMNA (0.50) PIM3CHEK1PIM1MPLJAK2
SCHEMBL6624979 0.74 MAPK8 (0.45) PIM3PIM1MPLJAK2NR4A2
SCHEMBL2449538 0.73 PBRM1 (0.51) PIM3PIM1MPLJAK2NR4A2
SCHEMBL8487413 0.73 JAK2 (0.52) PIM3PIM1MPLJAK2NR4A2
SCHEMBL9485757 0.71 MPL (0.61) PIM3PIM1MPLNR4A2CREBBP
SCHEMBL22230076 0.71 PARP1 (0.53) PIM3CHEK1PIM1NR4A2CREBBP
SCHEMBL29532188 0.71 PARP1 (0.53) PIM3CHEK1PIM1NR4A2CREBBP
SCHEMBL13659540 0.71 CHEK1 (0.73) PIM3CHEK1PIM1MPLNR4A2
SCHEMBL30136593 0.71 KEAP1 (0.64) PIM3PIM1NR4A2KDM4ELMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831094-B1 FUSED POLYCYCLIC HETEROCYCLE DERIVATIVES EISAI CO LTD (JP) 2004-12-08 EP disclosed
US-5952335-A ANTITUMOR AGENTS EISAI CO., LTD. (JP) 1999-09-14 US disclosed
CN-1185781-A Fused Polycyclic Heterocyclic Derivatives EISAI CO LTD (JP) 1998-06-24 CN disclosed
EP-0831094-A1 FUSED POLYCYCLIC HETEROCYCLE DERIVATIVES Eisai Co., Ltd. (JP) 1998-03-25 EP disclosed