SCHEMBL4789786

SCHEMBL4789786

CNc1c(C(=O)Nc2cc(Nc3cccc(Br)c3)ccc2C)cnc2[nH]ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.43
AURKA O14965 1/20 0.43
AURKB Q96GD4 1/20 0.43
INCENP Q9NQS7 1/20 0.43
BTK Q06187 1/20 0.43
MET P08581 2/20 0.39
BMX P51813 6/20 0.39
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
DDR1 Q08345 1/20 0.39
MAPK14 Q16539 1/20 0.39
DDR2 Q16832 1/20 0.39
ERBB2 P04626 2/20 0.38
JAK1 P23458 2/20 0.38
BRAF P15056 3/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
JAK2 O60674 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL4789713 0.91 BMX (0.41) METBMXABL1SRCDDR1
SCHEMBL4789788 0.89 BMX (0.46) BMXABL1SRCDDR1MAPK14
SCHEMBL4789707 0.89 BRAF (0.47) BTKABL1JAK1BRAFJAK2
SCHEMBL4789712 0.88 BMX (0.49) BMXJAK1JAK2TYK2JAK3
SCHEMBL4788889 0.87 BMX (0.53) BTKBMXABL1SRCDDR1
SCHEMBL4789714 0.82 BRAF (0.48) BMXABL1SRCDDR1MAPK14
SCHEMBL4788641 0.82 LCK (0.49) METBMXABL1SRCDDR1
SCHEMBL4788852 0.81 BRAF (0.43) EGFRMETBMXABL1SRC
SCHEMBL4788092 0.81 BRAF (0.53) BTKMAPK14BRAFJAK3
SCHEMBL14027871 0.80 JAK1 (0.42) JAK1BRAFJAK2TYK2JAK3

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-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO claimed
WO-2008144253-A1 PROTEIN KINASE INHIBITORS AND METHODS FOR USING THEREOF IRM LLC (BM) 2008-11-27 WO disclosed