SCHEMBL8325826

SCHEMBL8325826

COc1ccc(-c2[nH]nc3ncnc(Cl)c23)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.60
EGFR P00533 5/20 0.60
SRC P12931 4/20 0.52
PIK3CD O00329 9/20 0.50
PIK3CA P42336 9/20 0.50
PIK3CB P42338 9/20 0.50
PIK3CG P48736 9/20 0.50
PRKDC P78527 9/20 0.50
NUDT14 O95848 1/20 0.50
NUDT5 Q9UKK9 1/20 0.50
HCK P08631 3/20 0.49
KDR P35968 3/20 0.49
MTOR P42345 3/20 0.49
EPHB4 P54760 3/20 0.49
PI4KB Q9UBF8 3/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
DYRK1B Q9Y463 2/20 0.48
FLT3 P36888 1/20 0.45
DYRK1A Q13627 1/20 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
SCHEMBL8318618 0.83 ABL1 (0.72) ABL1EGFRSRCPIK3CDPIK3CA
SCHEMBL8327348 0.80 PIK3CD (0.67) ABL1EGFRSRCPIK3CDPIK3CA
SCHEMBL8325830 0.74 MAPT (0.49) ABL1EGFRSRCPIK3CDPIK3CA
SCHEMBL7495874 0.73 CCNB2 (0.58) ABL1EGFRMAPTNPSR1ALDH1A1
SCHEMBL6689658 0.73 EGFR (0.70) ABL1EGFRSRCPIK3CDPIK3CA
SCHEMBL9046890 0.71 ALDH1A1 (0.56) KDRMAPTNPSR1DYRK1AALDH1A1
SCHEMBL2257351 0.69 MAPT (0.56) KDRMAPTNPSR1FLT3DYRK1A
SCHEMBL14983462 0.68 ALDH1A1 (0.45) PIK3CGMAPTNPSR1ALDH1A1LMNA
SCHEMBL8322473 0.67 ABL1 (0.40) ABL1EGFRSRCPIK3CDPIK3CA
SCHEMBL5647677 0.66 ALDH1A1 (0.50) ABL1EGFRSRCPIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496617-B1 Adenosine kinase inhibitors METABASIS THERAPEUTICS INC (US) 1999-12-01 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
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