SCHEMBL20051455

SCHEMBL20051455

N#CC[C@H]1CCC(Nc2c(N)cnc3ccoc23)CO1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33
JAK1 P23458 1/20 0.33
TYRO3 Q06418 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL25806402 1.00 PIK3CD (0.33) PIK3CDJAK1TYRO3IRAK4
SCHEMBL21286839 1.00 PIK3CD (0.33) PIK3CDJAK1TYRO3IRAK4
SCHEMBL25806613 1.00 PIK3CD (0.33) PIK3CDJAK1TYRO3IRAK4
SCHEMBL20051452 1.00 PIK3CD (0.33) PIK3CDJAK1TYRO3IRAK4
Hydrochloric Acid SCHEMBL25301238 0.99 PIK3CD (0.33) PIK3CDJAK1TYRO3IRAK4
Hydrochloric Acid SCHEMBL31382910 0.99 PIK3CD (0.33) PIK3CDJAK1TYRO3IRAK4
SCHEMBL22764179 0.86 IRAK4 (0.36) IRAK4
SCHEMBL21286732 0.85 IRAK4 (0.37) JAK1IRAK4
SCHEMBL27153783 0.85 IRAK4 (0.37) JAK1IRAK4
SCHEMBL30822849 0.85 IRAK4 (0.37) JAK1IRAK4

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
WO-2018067422-A1 NOVEL JAK1 SELECTIVE INHIBITORS AND USES THEREOF LIANG CONGXIN (US) 2018-04-12 WO disclosed