SCHEMBL5828007

SCHEMBL5828007

O=c1[nH][nH]c2cc3cn[c]nc3cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 3/20 0.35
METAP2 P50579 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35
PAK4 O96013 1/20 0.35
ABL1 P00519 1/20 0.35
NTRK1 P04629 1/20 0.35
CSF1R P07333 1/20 0.35
RET P07949 1/20 0.35
MET P08581 1/20 0.35
PDGFRB P09619 1/20 0.35
PIM1 P11309 1/20 0.35
FGFR1 P11362 1/20 0.35
PDGFRA P16234 1/20 0.35
PRKACA P17612 1/20 0.35
FLT1 P17948 1/20 0.35

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
SCHEMBL6771524 0.75 PDE3B (0.42)
SCHEMBL4427247 0.70 MAPK1 (0.46) RPS6KA3
SCHEMBL4427845 0.70 MAPKAPK2 (0.44) RPS6KA3
SCHEMBL4420698 0.69 KMO (0.44) LRRK2
SCHEMBL4430364 0.69 PDE3B (0.41)
SCHEMBL4427633 0.68 CHEK1 (0.44) METAP2CHEK1JAK2PAK4PIM1
SCHEMBL5828401 0.67 GPR84 (0.40) CDK9CDK5DYRK1ADYRK1B
SCHEMBL7743692 0.65 CHEK1 (0.44) METAP2CHEK1FGFR1CLK2GSK3B
SCHEMBL24665382 0.64 GRIN2D (0.56) DAOMETAP2CHEK1AURKADAPK3
SCHEMBL5337590 0.64 PDGFRB (0.32) PDGFRBPDGFRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001904-B1 Guanidine derivatives quinazoline and quinoline for use in the treatment of autoimmune diseases ASTRAZENECA AB (SE) 2006-02-21 US disclosed
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
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