SCHEMBL27506447

SCHEMBL27506447

N#Cc1cccc(Cn2c3ccc(F)[c]c3c3c(C(N)=O)cccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 1/20 0.44
▸ CCR2 P41597 1/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ KLK1 P06870 1/20 0.41
▸ PIK3R1 P27986 2/20 0.39
▸ PIK3CA P42336 2/20 0.39
▸ FEN1 P39748 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 2/20 0.36
▸ GPR52 Q9Y2T5 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ CCR3 P51677 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ JAK3 P52333 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ SLC2A3 P11169 1/20 0.35

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
SCHEMBL27505260 0.90 MAPK8 (0.38) ADRA1DMAPK8KLKB1KLK1JAK2
SCHEMBL27530677 0.87 PLA2G10 (0.42) ADRA1DKLKB1KLK1BRD4
SCHEMBL27530259 0.87 IDO1 (0.40) MAPK8FEN1LMNAPOLB
SCHEMBL7754856 0.86 ADRA1D (0.47) ADRA1DCCR2MAPK8KLKB1KLK1
SCHEMBL27530159 0.86 PARP15 (0.41) MAPK8FEN1SIRT2SIRT1LMNA
SCHEMBL27563188 0.85 PLA2G2A (0.41) ADRA1D
SCHEMBL27525956 0.85 PLA2G1B (0.47) ADRA1DCCR2MAPK8LMNA
SCHEMBL27506885 0.85 ADRA1D (0.41) ADRA1DMAPK8KLKB1BRD4POLB
SCHEMBL27505567 0.85 PLA2G2A (0.37) BRD4LMNA
SCHEMBL27525731 0.85 MAPK8 (0.38) MAPK8KLKB1FAAHBRD4LMNA

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
CN-1240210-A Substituted tricyclic compound LILLY CO ELI (US) 2000-01-05 — — CN disclosed
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