SCHEMBL6177628

SCHEMBL6177628

O=C(Cc1ccccc1F)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.77
RAB9A P51151 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PRKACA P17612 1/20 0.50
ROCK1 Q13464 1/20 0.50
ALDH1A1 P00352 4/20 0.43
HTT P42858 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
ELOVL1 Q9BW60 2/20 0.42
LMNA P02545 3/20 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
SCHEMBL6176676 0.91 MAPK14 (0.76) MAPK14RAB9AMEN1KMT2APRKACA
SCHEMBL6175320 0.90 MAPK14 (0.74) MAPK14RAB9AMEN1KMT2APRKACA
SCHEMBL6193971 0.88 MAPK14 (0.72) MAPK14MEN1KMT2AROCK1
SCHEMBL6177800 0.87 MAPK14 (1.00) MAPK14PRKACAROCK1ALDH1A1CCNA2
SCHEMBL6178765 0.87 MAPK14 (0.71) MAPK14RAB9AMEN1KMT2AALDH1A1
SCHEMBL6178962 0.86 MAPK14 (0.89) MAPK14KMT2APRKACAROCK1CDK2
SCHEMBL6180514 0.86 MAPK14 (0.89) MAPK14MEN1KMT2APRKACAROCK1
SCHEMBL6177992 0.85 MAPK14 (0.73) MAPK14
SCHEMBL6176666 0.84 MAPK14 (0.76) MAPK14RAB9AMEN1KMT2AALDH1A1
SCHEMBL6176270 0.84 MAPK14 (0.75) MAPK14MEN1KMT2APRKACAROCK1

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