SCHEMBL7007816

SCHEMBL7007816

CCOC(=O)c1cn(-c2nc(NC(C)(C)C)c(F)cc2F)c2c(C)c(N)c(F)cc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.44
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
HTT P42858 1/20 0.38
ADRB2 P07550 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TBK1 Q9UHD2 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ROCK2 O75116 1/20 0.34
CDK1 P06493 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
CSNK1D P48730 1/20 0.34
GSK3A P49840 1/20 0.34
CDK5 Q00535 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
SCHEMBL2921621 0.91 STAT3 (0.49) STAT3KMT2ACYP3A4CYP2C9HTT
SCHEMBL7171849 0.89 STAT3 (0.55) STAT3KMT2ACYP3A4CYP2C9HTT
SCHEMBL7009244 0.86 STAT3 (0.42) STAT3KMT2ACYP3A4CYP2C9HTT
SCHEMBL2925163 0.86 STAT3 (0.48) STAT3KMT2ACYP3A4CYP2C9HTT
SCHEMBL2919164 0.86 STAT3 (0.48) STAT3KMT2ACYP3A4CYP2C9HTT
SCHEMBL2919782 0.82 STAT3 (0.51) STAT3KMT2ACYP3A4CYP2C9HTT
SCHEMBL7199865 0.81 STAT3 (0.41) STAT3KMT2ACYP3A4CYP2C9HTT
SCHEMBL2917905 0.81 STAT3 (0.52) STAT3KMT2ACYP3A4CYP2C9HTT
SCHEMBL2916260 0.80 STAT3 (0.47) STAT3KMT2ACYP3A4CYP2C9HTT
SCHEMBL2919185 0.77 STAT3 (0.49) STAT3KMT2ACYP3A4CYP2C9HTT

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