SCHEMBL8327348

SCHEMBL8327348

Clc1ncnc2n[nH]c(-c3ccccc3)c12

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 11/20 0.67
PIK3CA P42336 11/20 0.67
PIK3CB P42338 11/20 0.67
PIK3CG P48736 11/20 0.67
PRKDC P78527 11/20 0.67
ABL1 P00519 2/20 0.56
EGFR P00533 1/20 0.56
CDK1 P06493 1/20 0.56
SRC P12931 1/20 0.55
DYRK1A Q13627 1/20 0.53
NUDT14 O95848 1/20 0.52
NUDT5 Q9UKK9 1/20 0.52
PIP4K2C Q8TBX8 1/20 0.48
ADK P55263 1/20 0.48
FYN P06241 3/20 0.47
GRM5 P41594 1/20 0.46

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 0.87 ABL1 (0.72) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8325826 0.80 ABL1 (0.60) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8326897 0.80 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL30387566 0.78 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL8322473 0.75 ABL1 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6235341 0.75 EGFR (0.77) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6686760 0.73 EGFR (0.76) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL7515828 0.71 PIK3CD (0.58) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL4928638 0.70 YTHDC1 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6431494 0.69 RPS6KB1 (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC

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 9 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
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