SCHEMBL7974148

SCHEMBL7974148

COc1ccc(-c2cccc3nc(Nc4ccc(-c5ccc(N6CCOCC6)cc5)nc4)nn23)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.69
JAK3 P52333 9/20 0.62
PTK2 Q05397 7/20 0.62
JAK1 P23458 4/20 0.55
ABL1 P00519 2/20 0.51
NTRK1 P04629 2/20 0.51
YES1 P07947 2/20 0.51
KDR P35968 2/20 0.51
PIM1 P11309 1/20 0.51
MAPK1 P28482 1/20 0.51
HIPK1 Q86Z02 1/20 0.51
INSR P06213 1/20 0.47
IKBKB O14920 1/20 0.47
RIPK2 O43353 1/20 0.47
LCK P06239 1/20 0.47
TYK2 P29597 1/20 0.47
SYK P43405 1/20 0.47
GSK3B P49841 1/20 0.47
PTK2B Q14289 1/20 0.47

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
SCHEMBL3216367 0.91 JAK2 (0.82) JAK2JAK3PTK2JAK1IKBKB
SCHEMBL7977326 0.91 JAK2 (0.59) JAK2JAK3PTK2JAK1IKBKB
SCHEMBL7963973 0.89 JAK2 (0.64) JAK2JAK3PTK2JAK1IKBKB
SCHEMBL7964535 0.88 JAK2 (0.66) JAK2JAK3PTK2JAK1TYK2
SCHEMBL7980038 0.83 JAK2 (0.60) JAK2JAK3PTK2JAK1IKBKB
SCHEMBL16353219 0.82 JAK2 (0.83) JAK2JAK3PTK2JAK1IKBKB
SCHEMBL7977614 0.82 JAK1 (0.82) JAK2JAK3PTK2JAK1IKBKB
SCHEMBL3213038 0.82 JAK2 (0.82) JAK2JAK3PTK2JAK1
SCHEMBL3200667 0.82 JAK2 (1.00) JAK2JAK3PTK2JAK1
SCHEMBL2274423 0.81 JAK2 (0.60) JAK2JAK3PTK2JAK1IKBKB

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