SCHEMBL16623550

SCHEMBL16623550

N=C/C(=C\N)C(=N)c1c(NC2CCCC2)cc[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 13/20 0.36
JAK2 O60674 8/20 0.36
TYK2 P29597 3/20 0.33
JAK3 P52333 3/20 0.33
PRKAA1 Q13131 2/20 0.33
NUAK1 O60285 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT3 P36888 1/20 0.33
BRSK1 Q8TDC3 1/20 0.33
SIK2 Q9H0K1 1/20 0.33
HPGDS O60760 1/20 0.32
ROCK2 O75116 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
BRD4 O60885 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
SCHEMBL16623442 0.74 JAK1 (0.40) JAK1JAK2ROCK2
SCHEMBL16623521 0.73 JAK1 (0.39) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL3650718 0.73 JAK1 (0.45) JAK1JAK2ROCK2KDM4EGAA
SCHEMBL16623524 0.73 JAK1 (0.37) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL17849240 0.72 JAK1 (0.43) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL16623555 0.72 JAK1 (0.38) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL16623464 0.71 JAK1 (0.38) JAK1JAK2TYK2JAK3PRKAA1
SCHEMBL16623528 0.71 RAB9A (0.41) JAK1JAK2BRD4
SCHEMBL16726651 0.71 NPC1 (0.41) JAK1JAK2KDM4EGAABRD4
SCHEMBL16623515 0.71 PARP1 (0.41) JAK1JAK2

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-2857400-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-04-08 EP disclosed