SCHEMBL7168702

SCHEMBL7168702

C=CCOc1cccc(CN2CCN(Cc3cnc(C)n3Cc3ccc(C#N)c(F)c3)CC2=O)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.37
FNTB P49356 14/20 0.37
PGGT1B P53609 13/20 0.37
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
GPR6 P46095 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
CACNA1H O95180 1/20 0.32
PDE2A O00408 1/20 0.32

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
SCHEMBL7165817 0.86 FNTA (0.40) FNTAFNTBPGGT1BPRMT5WDR77
SCHEMBL6413460 0.77 PRMT5 (0.32) PRMT5WDR77
SCHEMBL7165905 0.76 FNTA (0.37) FNTAFNTBPGGT1BPRMT5WDR77
SCHEMBL7165194 0.74 FNTA (0.35) FNTAFNTBPGGT1BPRMT5WDR77
SCHEMBL7168181 0.73 FNTA (0.41) FNTAFNTBPGGT1BGPR6
SCHEMBL7566909 0.71 FNTA (0.41) FNTAFNTBPGGT1B
SCHEMBL7168685 0.71 FNTA (0.47) FNTAFNTBPGGT1B
SCHEMBL6434433 0.69 FNTA (0.45) FNTAFNTBPGGT1B
SCHEMBL7648190 0.68 FNTA (0.55) FNTAFNTBPGGT1BGPR6JAK2
SCHEMBL6471063 0.68 FNTA (0.53) FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed