SCHEMBL6689658

SCHEMBL6689658

COc1ccc(Nc2ncnc3n[nH]c(-c4ccccc4)c23)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.70
ABL1 P00519 8/20 0.70
CDK1 P06493 7/20 0.61
PRKCA P17252 6/20 0.58
PDGFRB P09619 1/20 0.58
PDGFRA P16234 1/20 0.58
FGFR1 P11362 1/20 0.56
SRC P12931 6/20 0.54
DYRK1A Q13627 1/20 0.53
DYRK1B Q9Y463 1/20 0.53
PDPK1 O15530 1/20 0.51
PIK3CD O00329 3/20 0.50
PIK3CA P42336 3/20 0.50
PIK3CB P42338 3/20 0.50
PIK3CG P48736 3/20 0.50
PRKDC P78527 3/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL6235341 0.87 EGFR (0.77) EGFRABL1CDK1PRKCAPDGFRB
SCHEMBL6689654 0.80 FGFR1 (0.57) EGFRABL1CDK1PRKCAPDGFRB
SCHEMBL6686760 0.79 EGFR (0.76) EGFRABL1CDK1PRKCAPDGFRB
SCHEMBL9820168 0.77 DYRK1A (0.57) CDK1PDGFRBFGFR1DYRK1ADYRK1B
SCHEMBL6684639 0.75 LMNA (0.57) EGFRABL1CDK1PRKCAPDGFRB
SCHEMBL8325826 0.73 ABL1 (0.60) EGFRABL1CDK1PRKCAPDGFRB
SCHEMBL31236246 0.71 PDPK1 (0.56) EGFRCDK1PRKCAPDGFRBPDGFRA
SCHEMBL31236247 0.71 PDPK1 (0.56) EGFRCDK1PRKCAPDGFRBPDGFRA
SCHEMBL6681340 0.69 FGFR1 (0.57) EGFRABL1CDK1PRKCAPDGFRB
SCHEMBL4913787 0.68 RAB9A (0.72) MAPTHTTLMNAKDM4EMEN1

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
EP-0832092-B1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2004-11-17 EP disclosed