SCHEMBL7322196

SCHEMBL7322196

CCOc1cnccc1-c1nc(N)c2c(C(F)(F)F)nn(C3CCCC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 10/20 0.40
EGFR P00533 8/20 0.40
PIK3CD O00329 6/20 0.40
ABL1 P00519 6/20 0.40
HCK P08631 6/20 0.40
KDR P35968 6/20 0.40
PIK3CA P42336 6/20 0.40
PIK3CB P42338 6/20 0.40
MTOR P42345 6/20 0.40
PIK3CG P48736 6/20 0.40
EPHB4 P54760 6/20 0.40
PRKDC P78527 6/20 0.40
PI4KB Q9UBF8 6/20 0.40
ATR Q13535 2/20 0.35
BTK Q06187 2/20 0.35
DGAT1 O75907 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PDE5A O76074 2/20 0.33
PDE1A P54750 1/20 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 0.87 PDE5A (0.42) SRCEGFRPIK3CDABL1HCK
SCHEMBL7316542 0.84 EGFR (0.37) SRCEGFRPIK3CDABL1HCK
SCHEMBL7313010 0.80 EGFR (0.36) SRCEGFRPIK3CDABL1HCK
SCHEMBL7320063 0.79 EGFR (0.39) SRCEGFRPIK3CDABL1HCK
SCHEMBL29611593 0.69 PDE5A (0.62) PDE5APDE1APDE1BPDE1C
SCHEMBL5595521 0.69 HCRTR1 (0.38) DGAT1HCRTR1HCRTR2PDE5APDE1A
SCHEMBL21138767 0.67 KDR (0.53) SRCEGFRPIK3CDABL1HCK
SCHEMBL8987482 0.66 PDE5A (0.37) SRCEGFRPIK3CDABL1HCK
SCHEMBL716026 0.64 HCRTR1 (0.39) HCRTR1HCRTR2PDE5APDE1APDE1B
SCHEMBL7316083 0.64 KDM4E (0.46) SRCEGFRPIK3CDABL1HCK

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