SCHEMBL7008770

SCHEMBL7008770

CCOC(=O)c1cn(-c2nc(NCCO)c(F)cc2F)c2c(Cl)c(F)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 3/20 0.47
ADRB2 P07550 1/20 0.43
CYP2C9 P11712 4/20 0.41
CYP3A4 P08684 3/20 0.41
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 3/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 1/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPK1 P28482 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL2919185 0.90 STAT3 (0.49) STAT3ADRB2CYP2C9CYP3A4KDM4E
SCHEMBL2925163 0.88 STAT3 (0.48) STAT3ADRB2CYP2C9CYP3A4KDM4E
SCHEMBL7007826 0.88 CYP2C9 (0.50) CYP2C9CYP3A4KDM4EKMT2AHPGD
SCHEMBL2920532 0.87 STAT3 (0.47) STAT3ADRB2CYP2C9CYP3A4KDM4E
SCHEMBL2917905 0.85 STAT3 (0.52) STAT3ADRB2CYP2C9CYP3A4KDM4E
SCHEMBL7171539 0.85 STAT3 (0.42) STAT3ADRB2CYP2C9CYP3A4KDM4E
SCHEMBL10018778 0.84 CYP3A4 (0.56) STAT3ADRB2CYP2C9CYP3A4KDM4E
SCHEMBL7172797 0.83 STAT3 (0.50) STAT3ADRB2CYP2C9CYP3A4KDM4E
SCHEMBL2919782 0.82 STAT3 (0.51) STAT3ADRB2CYP2C9CYP3A4KDM4E
SCHEMBL2916260 0.82 STAT3 (0.47) STAT3ADRB2CYP2C9CYP3A4KDM4E

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
EP-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0945435-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed