SCHEMBL19365346

SCHEMBL19365346

C/N=C/c1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccc(F)cn2)[C@H]2CCN3C2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 2/20 0.37
▸ ITK Q08881 1/20 0.35
▸ SRC P12931 4/20 0.33
▸ LYN P07948 3/20 0.33
▸ BTK Q06187 3/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ AHR P35869 1/20 0.32
▸ NTRK1 P04629 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ DEGS1 O15121 2/20 0.32
▸ VCP P55072 1/20 0.32
▸ HCRTR2 O43614 2/20 0.32
▸ MAP4K4 O95819 1/20 0.31
▸ LPL P06858 1/20 0.31
▸ LIPC P11150 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31
▸ MAP4K1 Q92918 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ABL1 P00519 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
SCHEMBL19706030 1.00 SCD (0.37) SCDITKSRCLYNBTK
SCHEMBL19365385 0.89 CNR2 (0.35) BTKFGFR4VCPALDH1A1
SCHEMBL19703416 0.89 CNR2 (0.35) BTKFGFR4VCPALDH1A1
SCHEMBL17618391 0.88 SCD (0.41) SCDDEGS1MAP4K4ABL1
SCHEMBL19365358 0.87 FAAH (0.35) —
SCHEMBL19706066 0.87 FAAH (0.35) —
SCHEMBL19670259 0.87 FAAH (0.35) —
SCHEMBL19670171 0.87 PIM2 (0.32) LPLLIPCLIPGALDH1A1ABL1
SCHEMBL17618376 0.86 GRM5 (0.39) SCD
SCHEMBL17618499 0.86 GRM5 (0.39) SCD

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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