SCHEMBL7256504

SCHEMBL7256504

Nc1n[nH]c2nnc(-c3ccccc3Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.51
JAK1 P23458 3/20 0.51
TYK2 P29597 1/20 0.51
JAK3 P52333 1/20 0.51
MAOB P27338 1/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
IDO1 P14902 1/20 0.42
CHEK1 O14757 1/20 0.42
FLT3 P36888 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
ALPL P05186 2/20 0.42
LDHA P00338 1/20 0.41
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL5388772 0.78 DYRK1A (0.59) PLK3CDK2MAPK1FLT4MAPK8
SCHEMBL1460319 0.78 GSK3A (0.59) JAK2KMT2AMAPK1MAPK8LIMK1
SCHEMBL7259137 0.77 CYP1A2 (0.50) ALPLHPGDALOX15KMT2ACDK2
SCHEMBL7255711 0.75 ALPL (0.38) JAK2JAK1TYK2JAK3MAOB
SCHEMBL7255702 0.75 ALPL (0.38) JAK2JAK1TYK2JAK3MAOB
Hydrazine SCHEMBL7155128 0.75 GSK3A (0.56) JAK2KMT2AMAPK1MAPK8LIMK1
SCHEMBL13329263 0.71 HSP90AA1 (0.46) JAK2JAK1TYK2JAK3HSP90AA1
SCHEMBL13329694 0.71 JAK2 (0.47) JAK2JAK1TYK2JAK3HSP90AA1
SCHEMBL16517285 0.71 TDP1 (0.40) JAK2JAK1TYK2JAK3CHEK1
SCHEMBL3499089 0.70 ALPL (0.57) JAK2JAK1TYK2JAK3HSP90AA1

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
WO-2003080616-A1 PYRAZOLOPYRIDAZINE DERIVATIVES, PROCESS FOR PREPARATION AND USE FOR THE INHIBITION OF GSK-3 GLAXO GROUP LIMITED (GB) 2003-10-02 WO disclosed