SCHEMBL7069636

SCHEMBL7069636

NC(COc1cncc(-c2ccc3c(c2)C(=Cc2cc[nH]c2)C(=O)N3)c1)Cc1c[nH]c2ccccc12

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.80
PRKACA P17612 4/20 0.77
PRKD3 O94806 3/20 0.77
MAP4K4 O95819 3/20 0.77
FLT3 P36888 3/20 0.77
GSK3A P49840 3/20 0.77
GSK3B P49841 3/20 0.77
PRKX P51817 3/20 0.77
CDK5 Q00535 3/20 0.77
PRKAA1 Q13131 3/20 0.77
ROCK1 Q13464 3/20 0.77
DYRK1A Q13627 3/20 0.77
TAOK1 Q7L7X3 3/20 0.77
AURKB Q96GD4 3/20 0.77
PDPK1 O15530 2/20 0.77
DYRK3 O43781 2/20 0.77
ROCK2 O75116 2/20 0.77
RPS6KA5 O75582 2/20 0.77
PRKCG P05129 2/20 0.77
CDK1 P06493 2/20 0.77

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
SCHEMBL6857674 1.00 CHEK1 (0.80) CHEK1PRKACAPRKD3MAP4K4FLT3
SCHEMBL6857672 1.00 CHEK1 (0.80) CHEK1PRKACAPRKD3MAP4K4FLT3
SCHEMBL6857670 1.00 CHEK1 (0.80) CHEK1PRKACAPRKD3MAP4K4FLT3
SCHEMBL6849881 0.93 CHEK1 (0.82) CHEK1PRKACAPRKD3MAP4K4FLT3
SCHEMBL6849880 0.93 CHEK1 (0.82) CHEK1PRKACAPRKD3MAP4K4FLT3
SCHEMBL6849875 0.93 CHEK1 (0.82) CHEK1PRKACAPRKD3MAP4K4FLT3
SCHEMBL6925977 0.93 CHEK1 (0.82) CHEK1PRKACAPRKD3MAP4K4FLT3
SCHEMBL6857823 0.90 CHEK1 (0.80) CHEK1PRKACAPRKD3MAP4K4FLT3
SCHEMBL6857820 0.90 CHEK1 (0.80) CHEK1PRKACAPRKD3MAP4K4FLT3
SCHEMBL6857815 0.90 CHEK1 (0.80) CHEK1PRKACAPRKD3MAP4K4FLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO disclosed