SCHEMBL16623525

SCHEMBL16623525

N=C(c1ccc(N=O)cc1)c1c(NC2CCCC2)cc[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 9/20 0.36
JAK2 O60674 5/20 0.36
BRD4 O60885 2/20 0.33
HCAR3 P49019 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
ROCK2 O75116 3/20 0.31
IP6K1 Q92551 1/20 0.31
NUAK1 O60285 1/20 0.31
PDGFRA P16234 1/20 0.31
TYK2 P29597 1/20 0.31
FLT3 P36888 1/20 0.31
JAK3 P52333 1/20 0.31
PRKAA1 Q13131 1/20 0.31
BRSK1 Q8TDC3 1/20 0.31
SIK2 Q9H0K1 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
SCHEMBL16623555 0.87 JAK1 (0.38) JAK1JAK2BRD4HCAR3HDAC8
SCHEMBL16623464 0.86 JAK1 (0.38) JAK1JAK2BRD4HCAR3HDAC8
SCHEMBL16623528 0.86 RAB9A (0.41) JAK1JAK2BRD4HDAC8KMT2A
SCHEMBL16726651 0.86 NPC1 (0.41) JAK1JAK2BRD4CYP2C9KMT2A
SCHEMBL16623521 0.85 JAK1 (0.39) JAK1JAK2NUAK1PDGFRATYK2
SCHEMBL16623524 0.85 JAK1 (0.37) JAK1JAK2BRD4HCAR3HDAC8
SCHEMBL16623542 0.85 JAK1 (0.39) JAK1JAK2BRD4HCAR3HDAC8
SCHEMBL16623442 0.83 JAK1 (0.40) JAK1JAK2KMT2AROCK2
SCHEMBL16623527 0.83 JAK1 (0.36) JAK1JAK2BRD4HCAR3HDAC8
SCHEMBL17849199 0.83 NPC1 (0.44) JAK1JAK2BRD4KMT2AJAK3

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