SCHEMBL7859690

SCHEMBL7859690

CC(C)(C)Nc1nc(N)c(C#N)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.45
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CDK2 P24941 2/20 0.35
CCNA2 P20248 1/20 0.35
TTK P33981 1/20 0.35
RPS27 P42677 1/20 0.35
MAPK8 P45983 1/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CSNK1A1 P48729 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
SCHEMBL7857463 0.81 KHK (0.53) KHKKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL2914288 0.80 CDK2 (0.35) KHKCDK2CCNA2LMNAHTT
SCHEMBL7170682 0.76 GLP1R (0.39) KHKALOX5APFEN1CDK2CCNA2
Alcohol SCHEMBL27466006 0.73 SLC29A1 (0.33) CDK2CCNA2LMNAHTTCCNE2
SCHEMBL7859680 0.73 KDM4E (0.53) KDM4EALDH1A1GAAHSD17B10LMNA
SCHEMBL19790355 0.70 KDM4E (0.33) KHKKDM4EALDH1A1HSD17B10RAB9A
SCHEMBL23860801 0.69 KHK (0.73) KHKKDM4EALDH1A1GAAHSD17B10
SCHEMBL7172045 0.69 LMNA (0.36) CDK2CCNA2LMNAHTTMAPT
SCHEMBL27883168 0.67 KDM4E (0.57) KHKKDM4EALDH1A1GAAHSD17B10
SCHEMBL9519918 0.66 LMNA (0.34) CDK2CCNA2TTKRPS27MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911327-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR THEIR SALTS AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2001-12-05 EP disclosed
US-6156903-A Pyridonecarboxylic acid derivatives or their salts, and antibacterial agents containing the same as their effective components WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-12-05 US disclosed
US-6133284-A EXCELLENT BACTERICIDAL PROPERTIES AND ORAL ABSORPTION; INFECTIONS FROM GRAMNEGATIVE AND -POSITIVE BACTERIA; INTESTINAL ABSORPTION, METABOLIC STABILITY; SIDE EFFECT REDUCTION; NONPHOTOTOXICITY AND NONCYTOTOXICITY WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
EP-0992501-A2 Pyridonecarboxylic acid derivatives as antibacterial agents WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-04-12 EP disclosed
US-5998436-A Pyridonecarboxylic acid derivatives or their salts and antibacterial agent comprising the same as the active ingredient WAKUNAGA PHARMACEUTICALS CO., LTD. (JP) 1999-12-07 US disclosed
EP-0952151-A2 Intermediates for use in preparing novel pyridonecarboxylic acid derivatives or their salts WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-10-27 EP disclosed
EP-0911327-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR THEIR SALTS AND ANTIBACTERIAL AGENT COMPRISING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-04-28 EP disclosed