SCHEMBL4081014

SCHEMBL4081014

NC(=O)c1ccc(-c2nc(Cl)nc3[nH]ccc23)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.43
F2 P00734 1/20 0.41
PDK1 Q15118 5/20 0.36
AKT1 P31749 1/20 0.35
HPGDS O60760 1/20 0.34
JAK2 O60674 4/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CHUK O15111 2/20 0.33
DYRK1A Q13627 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
NUDT1 P36639 1/20 0.32
RPS6KB2 Q9UBS0 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
SCHEMBL3973616 0.78 ADORA2A (0.44) IKBKBPDK1JAK2PDK2PDK3
SCHEMBL3975493 0.77 MEN1 (0.38) PDK1AKT1PDK2PDK3PDK4
SCHEMBL13883474 0.71 TTK (0.57) JAK2LRRK2
SCHEMBL10125059 0.71 AKT1 (0.61) IKBKBAKT1JAK2LRRK2CHUK
SCHEMBL30649183 0.71 AKT1 (0.61) IKBKBAKT1JAK2LRRK2CHUK
SCHEMBL4236776 0.71 TTK (0.59) JAK2LRRK2JAK1
SCHEMBL11889707 0.69 JAK2 (0.50) IKBKBAKT1JAK2LRRK2CHUK
SCHEMBL3967588 0.68 PGK1 (0.38) IKBKBPDK1JAK2DYRK1AADORA2A
SCHEMBL3971472 0.67 ADORA2A (0.38) PDK1JAK2PDK2PDK3PDK4
SCHEMBL3975335 0.66 CYP2A6 (0.38) PDK1PDK2PDK3PDK4ADORA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed
WO-2009049028-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USE AS JANUS KINASE MODULATORS TARGEGEN INC. (US) 2009-04-16 WO disclosed