SCHEMBL3259696

SCHEMBL3259696

CC(=O)Nc1nc2c(Br)cccn2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
ABL1 P00519 1/20 0.46
MAPK8 P45983 1/20 0.46
CSNK1A1 P48729 1/20 0.46
CDK7 P50613 1/20 0.46
TYRO3 Q06418 1/20 0.46
LRRK2 Q5S007 1/20 0.46
AURKB Q96GD4 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
DYRK1B Q9Y463 1/20 0.46
AHR P35869 1/20 0.44
JAK2 O60674 2/20 0.44
JAK3 P52333 2/20 0.44
PTK2 Q05397 2/20 0.44
LMNA P02545 1/20 0.43
PIK3CG P48736 12/20 0.43
PIK3CA P42336 6/20 0.43
PIK3CD O00329 4/20 0.42
PIK3CB P42338 1/20 0.41

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
SCHEMBL3259962 0.86 JAK2 (0.52) JAK2JAK3PTK2JAK1L3MBTL1
SCHEMBL17886514 0.85 JAK2 (0.53) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL2775371 0.81 MAPK1 (0.50) AHRLMNAL3MBTL1
SCHEMBL18202882 0.81 KDM4E (0.48) AHRJAK2JAK3PTK2LMNA
SCHEMBL13535387 0.80 JAK1 (0.58) JAK2JAK3LMNAJAK1
SCHEMBL13535757 0.79 AHR (0.50) MAP4K4LRRK2AHRJAK2JAK3
SCHEMBL3263162 0.78 JAK2 (0.53) JAK2JAK3PTK2JAK1
SCHEMBL30496382 0.75 JAK2 (0.55) MAP4K4ABL1MAPK8CSNK1A1CDK7
SCHEMBL13535843 0.73 JAK2 (0.62) JAK2JAK3PTK2JAK1
SCHEMBL1691501 0.73 JAK2 (0.56) JAK2JAK3PTK2JAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010010186-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed
WO-2010010186-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2010-01-28 WO disclosed