SCHEMBL4789712

SCHEMBL4789712

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BMX P51813 4/20 0.49
JAK1 P23458 12/20 0.47
JAK3 P52333 8/20 0.47
JAK2 O60674 7/20 0.47
TYK2 P29597 7/20 0.47
TNIK Q9UKE5 1/20 0.45
MAPT P10636 2/20 0.45
PDE4B Q07343 1/20 0.43
POLB P06746 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
SCHEMBL4789715 0.90 BMX (0.58) BMX
SCHEMBL4789713 0.89 BMX (0.41) BMXJAK1JAK3JAK2TYK2
SCHEMBL4789707 0.88 BRAF (0.47) JAK1JAK3JAK2TYK2MAPT
SCHEMBL4789786 0.88 EGFR (0.43) BMXJAK1JAK3JAK2TYK2
SCHEMBL4788889 0.85 BMX (0.53) BMXMAPT
SCHEMBL4789714 0.80 BRAF (0.48) BMXMAPT
SCHEMBL4788641 0.80 LCK (0.49) BMXJAK3
SCHEMBL4788852 0.80 BRAF (0.43) BMX
SCHEMBL4788092 0.79 BRAF (0.53) JAK3
SCHEMBL14027871 0.79 JAK1 (0.42) JAK1JAK3JAK2TYK2

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