SCHEMBL6178432

SCHEMBL6178432

CCC(C(=O)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPK14 Q16539 6/20 0.50
GAA P10253 2/20 0.46
THRB P10828 1/20 0.44
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43
ELOVL1 Q9BW60 1/20 0.43
SRC P12931 1/20 0.43
BRAF P15056 1/20 0.43
KDR P35968 1/20 0.43
KCNQ2 O43526 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL4329823 0.87 MAPK14 (0.50) LMNAMAPK14CSNK1DCSNK1ESRC
SCHEMBL4329207 0.87 MAPK14 (0.50) LMNAMAPK14CSNK1DCSNK1ESRC
SCHEMBL6179749 0.87 MAPK14 (0.50) LMNAMAPK14CSNK1DCSNK1ESRC
SCHEMBL4338023 0.86 MAPK14 (0.49) LMNAMAPK14CSNK1DCSNK1ESRC
SCHEMBL4338469 0.86 MAPK14 (0.49) LMNAMAPK14CSNK1DCSNK1ESRC
SCHEMBL4339540 0.85 MAPK14 (0.48) LMNAMAPK14GAACSNK1DCSNK1E
SCHEMBL6176515 0.84 MAPK14 (0.48) LMNAMAPK14CSNK1DCSNK1ESRC
SCHEMBL7134246 0.83 MAPK14 (0.47) LMNAMAPK14CSNK1DCSNK1ESRC
SCHEMBL6178126 0.83 MAPK14 (0.46) LMNAMAPK14CSNK1DCSNK1ESRC
SCHEMBL6178590 0.82 MAPK14 (0.56) MAPK14CSNK1DCSNK1ESRCBRAF

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-1142890-B1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2005-08-03 EP disclosed
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed