SCHEMBL7313010

SCHEMBL7313010

CCCOc1cnccc1-c1nc(N)c2c(CC)nn(C3CCCC3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.36
BTK Q06187 2/20 0.36
PDE5A O76074 1/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
SRC P12931 10/20 0.34
ABL1 P00519 9/20 0.34
PIK3CD O00329 7/20 0.34
HCK P08631 7/20 0.34
KDR P35968 7/20 0.34
PIK3CA P42336 7/20 0.34
PIK3CB P42338 7/20 0.34
MTOR P42345 7/20 0.34
PIK3CG P48736 7/20 0.34
EPHB4 P54760 7/20 0.34
PRKDC P78527 7/20 0.34
PI4KB Q9UBF8 7/20 0.34
MERTK Q12866 2/20 0.33

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
SCHEMBL7312127 0.93 PDE5A (0.42) EGFRBTKPDE5APDE4APDE4B
SCHEMBL7320063 0.90 EGFR (0.39) EGFRBTKPDE5APDE4APDE4B
SCHEMBL7322196 0.80 SRC (0.40) EGFRBTKPDE5ASRCABL1
SCHEMBL8987482 0.72 PDE5A (0.37) EGFRPDE5APDE4APDE4BPDE4C
SCHEMBL7317680 0.72 SRC (0.38) EGFRPDE5APDE4APDE4BPDE4C
SCHEMBL7312223 0.70 TLR9 (0.39) EGFRPDE5APDE4APDE4BPDE4C
SCHEMBL7316542 0.69 EGFR (0.37) EGFRBTKSRCABL1PIK3CD
SCHEMBL7307567 0.68 SIGMAR1 (0.43) EGFRPDE5ASRCABL1PIK3CD
SCHEMBL6199245 0.68 PDE5A (0.59) PDE5AKDM4EALDH1A1HSD17B10
SCHEMBL7321184 0.68 PIK3CD (0.40) EGFRPDE4APDE4BPDE4CPDE4D

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-5541187-A HYPOTENSIVE AGENTS STERLING WINTHROP INC. (US) 1996-07-30 US disclosed
US-5294612-A Hypotensive agents and cardiovascular disorders STERLING WINTHROP INC. (US) 1994-03-15 US disclosed