SCHEMBL7979478

SCHEMBL7979478

COc1ccc(-c2cccc3nc(Nc4ccc(C(=O)NCc5ccccn5)cc4)nn23)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.67
JAK1 P23458 4/20 0.61
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
JAK3 P52333 4/20 0.58
PTK2 Q05397 2/20 0.58
TYK2 P29597 2/20 0.51
IKBKB O14920 1/20 0.49
RIPK2 O43353 1/20 0.49
LCK P06239 1/20 0.49
SYK P43405 1/20 0.49
GSK3B P49841 1/20 0.49
PTK2B Q14289 1/20 0.49
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL13536707 0.90 LMNA (0.57) JAK2JAK1KMT2AMEN1JAK3
SCHEMBL7973589 0.88 JAK2 (0.74) JAK2JAK1JAK3PTK2TYK2
SCHEMBL13536506 0.86 JAK2 (0.71) JAK2JAK1KMT2AJAK3PTK2
SCHEMBL7979476 0.85 JAK2 (0.67) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7980664 0.84 JAK2 (0.64) JAK2JAK1KMT2AMEN1JAK3
SCHEMBL13073197 0.84 JAK2 (0.58) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7977754 0.83 JAK2 (0.72) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7964178 0.83 JAK2 (0.81) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7974770 0.82 JAK2 (0.71) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7974882 0.82 JAK2 (0.70) JAK2JAK1JAK3PTK2TYK2

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-2010010188-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES. GALAPAGOS NV (BE) 2010-01-28 WO disclosed