SCHEMBL20082889

SCHEMBL20082889

CNC1CCC2(CC1)CCN(C(=O)CC#N)CC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 15/20 0.48
JAK2 O60674 10/20 0.48
TYK2 P29597 3/20 0.43
JAK3 P52333 3/20 0.43
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
NAMPT P43490 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
SCHEMBL22007006 0.92 JAK1 (0.49) JAK1JAK2TYK2JAK3
SCHEMBL16718806 0.85 ALDH1A1 (0.42) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL21757052 0.84 JAK1 (0.43) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL22754610 0.81 JAK1 (0.43) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL27271111 0.77 EPHX2 (0.49) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL16835513 0.77 ITGB3 (0.36) ALDH1A1MEN1KMT2AITGB3ITGA2B
SCHEMBL26286124 0.76 JAK2 (0.41) JAK1JAK2TYK2JAK3
SCHEMBL21757048 0.75 JAK1 (0.45) JAK1JAK2TYK2JAK3ALDH1A1
SCHEMBL12463610 0.74 JAK3 (0.49) JAK1JAK2JAK3
SCHEMBL23029326 0.74 L3MBTL1 (0.50) ALDH1A1KDM4EMEN1KMT2AL3MBTL1

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-3312164-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE Calitor Sciences, LLC (US) 2018-04-25 EP disclosed