SCHEMBL6926599

SCHEMBL6926599

CC(C)(C)OC(=O)NC(COc1cncc(-c2ccc(C(=N)NO)cc2)c1)Cc1c[nH]c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 9/20 0.60
HDAC4 P56524 9/20 0.60
HDAC1 Q13547 9/20 0.60
HDAC7 Q8WUI4 9/20 0.60
HDAC2 Q92769 9/20 0.60
HDAC10 Q969S8 9/20 0.60
HDAC11 Q96DB2 9/20 0.60
HDAC8 Q9BY41 9/20 0.60
HDAC6 Q9UBN7 9/20 0.60
HDAC9 Q9UKV0 9/20 0.60
HDAC5 Q9UQL6 9/20 0.60
AKT1 P31749 11/20 0.56
DYRK3 O43781 1/20 0.55
ROCK2 O75116 1/20 0.55
PRKD3 O94806 1/20 0.55
PRKCG P05129 1/20 0.55
LCK P06239 1/20 0.55
CDK1 P06493 1/20 0.55
PIM1 P11309 1/20 0.55
PRKACA P17612 1/20 0.55

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
SCHEMBL6854661 1.00 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6854667 1.00 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6853403 0.92 AKT1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6858075 0.87 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6858072 0.87 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855012 0.85 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855017 0.85 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855367 0.84 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855362 0.84 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6855460 0.84 AKT1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2

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