SCHEMBL6235344

SCHEMBL6235344

c1ccc(Nc2ncnc3[nH]nc(-c4ccccc4)c23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.55
ABL1 P00519 6/20 0.55
PRKCA P17252 4/20 0.55
SRC P12931 2/20 0.55
MAPT P10636 2/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
ABL2 P42684 1/20 0.51
MAPK1 P28482 2/20 0.50
CDK1 P06493 2/20 0.48
TTBK1 Q5TCY1 1/20 0.48
TTBK2 Q6IQ55 1/20 0.48
YTHDC1 Q96MU7 1/20 0.47
YTHDF2 Q9Y5A9 1/20 0.47
GSK3B P49841 2/20 0.46
MAPK14 Q16539 2/20 0.46
MAPK10 P53779 1/20 0.46
MAP4K4 O95819 3/20 0.44
PIM1 P11309 3/20 0.44

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
SCHEMBL19507722 0.94 EGFR (0.49) EGFRABL1PRKCASRCMAPT
SCHEMBL6682618 0.90 EGFR (0.49) EGFRABL1PRKCASRCCDK1
SCHEMBL19507769 0.90 EGFR (0.52) EGFRABL1PRKCASRCCDK1
SCHEMBL6686751 0.90 EGFR (0.52) EGFRABL1PRKCASRCABL2
SCHEMBL6684888 0.90 EGFR (0.52) EGFRABL1PRKCASRCMAPT
SCHEMBL13861667 0.88 TTBK1 (0.52) EGFRABL1PRKCASRCMAPT
SCHEMBL6689654 0.87 FGFR1 (0.57) EGFRABL1PRKCAMAPTHPGD
SCHEMBL6238000 0.87 ABCG2 (0.51) EGFRABL1PRKCASRCABL2
SCHEMBL6684639 0.87 LMNA (0.57) EGFRABL1PRKCASRCMAPT
SCHEMBL8117270 0.84 EGFR (0.60) EGFRABL1PRKCASRCMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0836613-B1 WATER-SOLUBLE ADENOSINE KINASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2005-05-25 EP disclosed
EP-0832092-B1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS METABASIS THERAPEUTICS INC (US) 2004-11-17 EP disclosed
EP-0496617-B1 Adenosine kinase inhibitors METABASIS THERAPEUTICS INC (US) 1999-12-01 EP disclosed
EP-0836613-A1 WATER-SOLUBLE ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-22 EP disclosed
EP-0832092-A1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1998-04-01 EP disclosed
EP-0682519-A4 ADENOSINE KINASE INHIBITORS. GENSIA INC (US) 1997-12-17 EP disclosed
US-5646128-A TREATING INFLAMMATION, SEPSIS, SEPTIC SHOCK, BURNS GENSIA, INC. (US) 1997-07-08 US disclosed
WO-1996040706-A1 ORALLY ACTIVE ADENOSINE KINASE INHIBITORS GENSIA-SICOR (US) 1996-12-19 WO disclosed
WO-1996040707-A1 WATER-SOLUBLE ADENOSINE KINASE INHIBITORS GENSIA SICOR (US) 1996-12-19 WO disclosed
US-5506347-A ADENOSINE KINASE INHIBITOR GENSIA, INC. (US) 1996-04-09 US disclosed
EP-0682519-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1995-11-22 EP disclosed
WO-1994017803-A9 ADENOSINE KINASE INHIBITORS 1994-09-29 WO disclosed
WO-1994017803-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1994-08-18 WO disclosed
WO-1992012718-A1 ADENOSINE KINASE INHIBITORS GENSIA, INC. (US) 1992-08-06 WO disclosed
EP-0496617-A1 Adenosine kinase inhibitors GENSIA, INC. (US) 1992-07-29 EP disclosed