SCHEMBL7974593

SCHEMBL7974593

COc1ccc(-c2cccc3nc(Nc4ccc(C(=O)NCCCn5cccn5)cc4)nn23)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.63
JAK1 P23458 6/20 0.58
JAK3 P52333 5/20 0.55
PTK2 Q05397 4/20 0.55
TYK2 P29597 2/20 0.46
IKBKB O14920 1/20 0.46
RIPK2 O43353 1/20 0.46
LCK P06239 1/20 0.46
SYK P43405 1/20 0.46
GSK3B P49841 1/20 0.46
PTK2B Q14289 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MYOF Q9NZM1 1/20 0.43

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
SCHEMBL7974770 0.87 JAK2 (0.71) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7963216 0.84 JAK2 (0.68) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7974882 0.82 JAK2 (0.70) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7976762 0.82 JAK2 (0.67) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7975065 0.81 JAK2 (0.65) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7977754 0.81 JAK2 (0.72) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7964178 0.80 JAK2 (0.81) JAK2JAK1JAK3PTK2TYK2
SCHEMBL3205087 0.80 JAK2 (0.64) JAK2JAK1JAK3PTK2ALDH1A1
SCHEMBL7973589 0.80 JAK2 (0.74) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7964532 0.79 JAK2 (0.65) 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