Sugi Predict

Sugi Predict / Compounds / SCHEMBL5798433

SCHEMBL5798433

SCHEMBL5798433

N#Cc1nc(CCCNC2CCCCC2)cc(C2CCCCCC2)n1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 10/20 0.66
▸ CTSS P25774 7/20 0.66
▸ KCNH2 Q12809 1/20 0.65
▸ CXCR4 P61073 5/20 0.44
▸ CXCL12 P48061 1/20 0.40
▸ HRH4 Q9H3N8 2/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38

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
Trifluoroacetic Acid SCHEMBL5813071 0.89 CTSK (0.54) CTSKCTSSKCNH2CXCR4
SCHEMBL5798709 0.83 CTSK (0.71) CTSKCTSSKCNH2
SCHEMBL5795402 0.81 CTSK (0.58) CTSKCTSSKCNH2
SCHEMBL5796222 0.80 CTSK (0.79) CTSKCTSSKCNH2
SCHEMBL5795318 0.80 CTSK (0.79) CTSKCTSSKCNH2
SCHEMBL5796281 0.80 CTSK (1.00) CTSKCTSSKCNH2
SCHEMBL5796634 0.79 CTSK (0.55) CTSKCTSSKCNH2
SCHEMBL8269456 0.79 CTSK (1.00) CTSKCTSSKCNH2HRH3
SCHEMBL4451839 0.78 CTSK (0.70) CTSKCTSSKCNH2
SCHEMBL4448011 0.78 CTSK (0.70) CTSKCTSSKCNH2

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
WO-2006040300-A1 4-CYCLOALKYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2006-04-20 — — WO claimed
WO-2006040300-A1 4-CYCLOALKYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES N.V. ORGANON (NL) 2006-04-20 — — WO disclosed