SCHEMBL9522341

SCHEMBL9522341

CCOC(=O)c1c2n(c3cc(N4CCN(C)C(C)C4)c(F)cc3c1=O)C(c1ccccc1)S2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.43
PIM1 P11309 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
IRAK1 P51617 1/20 0.43
RPS6KA3 P51812 1/20 0.43
DYRK1A Q13627 1/20 0.43
PIM3 Q86V86 1/20 0.43
CSNK1G3 Q9Y6M4 1/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 7/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.38
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
PIK3CA P42336 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
SCHEMBL9522092 0.94 PRKD3 (0.42) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9523401 0.92 LMNA (0.41) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9523011 0.90 LMNA (0.46) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9522109 0.88 LMNA (0.53) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL10566885 0.88 PRKD3 (0.42) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9522510 0.86 HPGD (0.54) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL9522727 0.86 KDM4E (0.47) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL10567337 0.85 LMNA (0.47) PRKD3PIM1GSK3AGSK3BIRAK1
SCHEMBL10567506 0.83 MEN1 (0.46) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9522639 0.82 KDM4E (0.44) LMNAALDH1A1KDM4EHPGDHSD17B10

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
US-4843070-A BACTERIDCIDES, FUNGICIDES NIPPON SHINYAKU CO., LTD. (JP) 1989-06-27 US claimed
EP-0249043-B1 QUINOLINECARBOXYLIC ACID DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-04 EP disclosed
US-4843070-A BACTERIDCIDES, FUNGICIDES NIPPON SHINYAKU CO., LTD. (JP) 1989-06-27 US disclosed
EP-0249043-A2 Quinolinecarboxylic acid derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1987-12-16 EP disclosed