SCHEMBL4412929

SCHEMBL4412929

CC(O)Cc1cccc(Nc2ncnc3c2ccn3C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIP4K2A P48426 2/20 0.46
PIK3CG P48736 2/20 0.46
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 3/20 0.43
BTK Q06187 1/20 0.42
PRMT5 O14744 1/20 0.41
EGFR P00533 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SRC P12931 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
RET P07949 1/20 0.40
KDR P35968 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
BRD4 O60885 1/20 0.40

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
SCHEMBL4412666 0.86 PIP4K2A (0.48) PIP4K2APIK3CGALDH1A1POLBMAPT
SCHEMBL4414043 0.84 PIP4K2A (0.48) PIP4K2APIK3CGALDH1A1POLBMAPT
SCHEMBL4418471 0.84 PIP4K2A (0.46) PIP4K2APIK3CGALDH1A1POLBMAPT
SCHEMBL4415185 0.81 LMNA (0.58) PIP4K2APIK3CGALDH1A1POLBMAPT
SCHEMBL4412294 0.79 PIP4K2A (0.69) PIP4K2APIK3CGALDH1A1POLBMAPT
SCHEMBL4414264 0.79 MAPT (0.57) ALDH1A1MAPTEGFRNPC1SRC
SCHEMBL4421383 0.79 RAB9A (0.57) PIP4K2APIK3CGALDH1A1POLBMAPT
SCHEMBL4427009 0.79 AURKA (0.58) EGFRAURKARPS6KB1
SCHEMBL4415661 0.78 EGFR (0.52) PIP4K2APIK3CGALDH1A1POLBMAPT
SCHEMBL4416404 0.78 ABCG2 (0.57) PIP4K2APIK3CGALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658290-A4 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2009-04-15 EP claimed
JP-2007504159-A 2007-03-01 JP claimed
EP-1658290-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2006-05-24 EP claimed
WO-2005039486-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2005-05-06 WO claimed