SCHEMBL8364419

SCHEMBL8364419

COC(=O)c1cccc2ncn(-c3ccc(-c4ccccc4-c4nc(=O)s[nH]4)c(C4CC4)c3)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.34
FGFR1 P11362 3/20 0.34
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
SRC P12931 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31
NPY5R Q15761 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP11B2 P19099 1/20 0.31
RIPK1 Q13546 1/20 0.31
PDE7A Q13946 2/20 0.31
PDE4D Q08499 1/20 0.31
CAMKK2 Q96RR4 1/20 0.30
MKNK2 Q9HBH9 1/20 0.30
PDE4B Q07343 1/20 0.30
DDB1 Q16531 1/20 0.30

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
SCHEMBL8363472 0.87 FGFR1 (0.34) DYRK1AFGFR1PDK2PDK4SRC
SCHEMBL8357506 0.86 FGFR1 (0.36) DYRK1AFGFR1SRCESR1ESR2
SCHEMBL8359913 0.84 FGFR1 (0.34) DYRK1AFGFR1PDK2PDK4SRC
SCHEMBL8359335 0.84 PLA2G2A (0.36) DYRK1AFGFR1SRCESR1ESR2
SCHEMBL8364421 0.78 HSD17B10 (0.34) HSD17B10
SCHEMBL8364431 0.75 AGTR1 (0.35) DYRK1AFGFR1SRCESR2RIPK1
SCHEMBL8357460 0.73 TSHR (0.38) HSD17B10
SCHEMBL8361952 0.73 TSHR (0.38) PDK2PDK4NPY5RHSD17B10DDB1
SCHEMBL8587857 0.73 FGFR1 (0.36) DYRK1AFGFR1SRCESR1ESR2
SCHEMBL8359535 0.72 FGFR1 (0.36) DYRK1AFGFR1SRCESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883111-A STRONG AND LONG-LASTING ACTION BY ORAL ADMINISTRATION; HYPOTENSIVE AGENTS; CARDIOTONIC AGENTS; ALZHEIMER'S DISEASE; TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-16 US disclosed
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed