SCHEMBL7979476

SCHEMBL7979476

COc1ccc(-c2cccc3nc(Nc4ccc(C(=O)NCc5cccnc5)cc4)nn23)cc1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.67
JAK1 P23458 5/20 0.66
GAA P10253 1/20 0.63
JAK3 P52333 2/20 0.58
PTK2 Q05397 2/20 0.58
TYK2 P29597 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
MMP13 P45452 1/20 0.50
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL7973589 0.91 JAK2 (0.74) JAK2JAK1JAK3PTK2TYK2
SCHEMBL13536675 0.89 JAK1 (0.72) JAK2JAK1TYK2LMNAPOLB
SCHEMBL13536506 0.88 JAK2 (0.71) JAK2JAK1GAAJAK3PTK2
SCHEMBL7963261 0.86 JAK2 (0.71) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7979478 0.85 JAK2 (0.67) JAK2JAK1JAK3PTK2TYK2
SCHEMBL13536706 0.84 JAK2 (0.64) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7977754 0.83 JAK2 (0.72) JAK2JAK1JAK3PTK2TYK2
SCHEMBL13072881 0.83 JAK2 (0.57) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7964178 0.83 JAK2 (0.81) JAK2JAK1JAK3PTK2TYK2
SCHEMBL7974770 0.82 JAK2 (0.71) 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