SCHEMBL21089261

SCHEMBL21089261

N#CCCNC1CCC(NC2CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 4/20 0.36
JAK2 O60674 3/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
DPP4 P27487 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5831087 0.93 JAK1 (0.39) JAK1JAK2TYK2JAK3DPP4
SCHEMBL1190555 0.93
SCHEMBL2751529 0.84 SMN1; SMN2 (0.39) JAK1JAK2DPP4
SCHEMBL6977767 0.84
SCHEMBL21782065 0.83 ALDH1A1 (0.38) JAK1JAK2TYK2JAK3DPP4
SCHEMBL21781847 0.83 JAK1 (0.38) JAK1JAK2TYK2JAK3DPP4
SCHEMBL9342162 0.83 JAK1 (0.35) JAK1JAK2TYK2JAK3DPP4
SCHEMBL15014481 0.83 ALDH1A1 (0.38) JAK1JAK2TYK2JAK3DPP4
SCHEMBL3167403 0.82 DPP4 (0.40) DPP4ALDH1A1HSD17B10
SCHEMBL6160369 0.82 DPP4 (0.40) DPP4ALDH1A1HSD17B10

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
EP-3286172-B1 LSD1 INHIBITORS AND USES THEREOF CONSTELLATION PHARMACEUTICALS INC (US) 2019-06-12 EP disclosed