SCHEMBL7657901

SCHEMBL7657901

CC(=O)Oc1nc2cc3[nH]c(=O)c(-c4cn(CCCN)c5ccc(OCc6ccccc6)cc45)nc3cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
EGLN1 Q9GZT9 2/20 0.36
IGF1R P08069 2/20 0.36
EGFR P00533 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
SRD5A2 P31213 1/20 0.35
MMP13 P45452 1/20 0.35
CAMK2D Q13557 1/20 0.35
LTB4R Q15722 3/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
IP6K1 Q92551 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
ELANE P08246 1/20 0.34
MAOB P27338 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL7837818 0.94 EGLN1 (0.36) CHEK1EGLN1IGF1RSRD5A2MMP13
Acetic Acid SCHEMBL7658238 0.90 EGLN1 (0.40) CHEK1EGLN1IGF1REGFRFLT4
Acetic Acid SCHEMBL7657890 0.90 CHEK1 (0.39) CHEK1EGLN1IGF1REGFRFLT4
Acetic Acid SCHEMBL7657826 0.89 CHEK1 (0.39) CHEK1EGLN1IGF1REGFRFLT4
SCHEMBL7656458 0.89 PDE4B (0.40) KDRPDE4BPDE4D
Acetic Acid SCHEMBL7661589 0.88 IP6K1 (0.42) CHEK1EGLN1IGF1REGFRFLT4
Acetic Acid SCHEMBL7817644 0.88 EGLN1 (0.40) CHEK1EGLN1IGF1REGFRFLT4
Acetic Acid SCHEMBL7815908 0.88 CAMK2D (0.39) CHEK1EGLN1IGF1REGFRFLT4
SCHEMBL7661596 0.87 IGF1R (0.35) CHEK1EGLN1IGF1REGFRFLT4
Acetic Acid SCHEMBL7655888 0.87 EGLN1 (0.38) CHEK1EGLN1IGF1REGFRFLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458792-B1 MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. ASTRAZENECA AB (SE) 2002-10-01 US disclosed
EP-1071683-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2001-01-31 EP disclosed
WO-1999046264-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed