SCHEMBL6775418

SCHEMBL6775418

[c]1nc2cc3cncnc3cc2[nH]1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.40
TDO2 P48775 2/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
FGFR4 P22455 1/20 0.30

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
SCHEMBL8874014 0.77 EGFR (0.58) EGFRTDO2PIK3CDPIK3CAFGFR4
SCHEMBL4233464 0.71 MAPT (0.46) EGFRTDO2
SCHEMBL9039584 0.70 EGFR (0.41) EGFRTDO2PIK3CDPIK3CAFGFR4
SCHEMBL7068666 0.70 CHRNA1 (0.31)
SCHEMBL4424448 0.69 EGFR (0.43) EGFRTDO2PIK3CDPIK3CAFGFR4
SCHEMBL3103036 0.68 NQO2 (0.43)
SCHEMBL30035692 0.68 GRIN2D (0.44) EGFRTDO2PIK3CDPIK3CA
SCHEMBL6017066 0.68 KDM4E (0.44) EGFRTDO2PIK3CDPIK3CAFGFR4
SCHEMBL4431376 0.67 EGFR (0.41) EGFRTDO2PIK3CDPIK3CAFGFR4
Hydrochloric Acid SCHEMBL9229288 0.67 KDM4E (0.42) EGFRTDO2PIK3CDPIK3CAFGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6806274-B1 IMMUNOREGULATION OR IMMUNOSUPPRESSIVE AGENTS; TYROSINE KINASE INHIBITORS; PREVENTING ORGAN TRANSPLANT REJECTION; AUTOIMMUNE CONDITIONS; REDUCED SIDE EFFECTS ASTRAZENECA UK LIMITED (GB) 2004-10-19 US disclosed
EP-1296973-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AstraZeneca AB (SE) 2003-04-02 EP disclosed
EP-1218353-A1 QUINAZOLINE DERIVATIVES AstraZeneca UK Limited (GB) 2002-07-03 EP disclosed
WO-2002002534-A1 QUINAZOLINES WITH THERAPEUTIC USE ASTRAZENECA AB (SE) 2002-01-10 WO disclosed
WO-2002000644-A1 GUANIDINE DERIVATIVES OF QUINAZOLINE AND QUINOLINE FOR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES ASTRAZENECA AB (SE) 2002-01-03 WO disclosed
WO-2001004102-A1 QUINAZOLINE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-01-18 WO disclosed