SCHEMBL7320980

SCHEMBL7320980

Cc1nn(C2CCOC2)c(N)c1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.37
PI4KB Q9UBF8 3/20 0.37
FLT3 P36888 2/20 0.37
MAP3K1 Q13233 2/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PIK3CA P42336 2/20 0.34
MAP3K12 Q12852 2/20 0.34
SPR P35270 1/20 0.34
SRC P12931 2/20 0.33
HPGD P15428 1/20 0.33
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32
PIK3CD O00329 2/20 0.32
FPR1 P21462 1/20 0.31
AKR1C3 P42330 1/20 0.31

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
SCHEMBL1717108 0.91 TSHR (0.38) LRRK2TSHRMEN1ALDH1A1LMNA
SCHEMBL31194597 0.83 TSHR (0.42) TSHRMEN1ALDH1A1LMNAKMT2A
SCHEMBL31194470 0.80 HPGD (0.46) TSHRMEN1ALDH1A1LMNAKMT2A
SCHEMBL1717600 0.80 HPGD (0.49) TSHRMEN1ALDH1A1LMNAKMT2A
SCHEMBL4498872 0.79 HPGD (0.51) FLT3TSHRMEN1ALDH1A1LMNA
SCHEMBL8553968 0.77 ALOX15 (0.48) LRRK2TSHRMEN1ALDH1A1LMNA
SCHEMBL18988586 0.75 ADORA2A (0.40) LRRK2PI4KBFLT3MAP3K1MEN1
SCHEMBL18988152 0.75 ADORA2A (0.40) LRRK2PI4KBFLT3MAP3K1MEN1
SCHEMBL18988527 0.75 ADORA2A (0.40) LRRK2PI4KBFLT3MAP3K1MEN1
SCHEMBL31735524 0.74 PDE4D (0.33) MAP3K12PIK3CD

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