SCHEMBL6178699

SCHEMBL6178699

O=C(Cc1ccc(Cl)c(Cl)c1)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.73
WNT3A P56704 1/20 0.43
PRKACA P17612 1/20 0.42
ROCK1 Q13464 1/20 0.42
GSK3B P49841 2/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CHUK O15111 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
CDK1 P06493 1/20 0.39
CDK4 P11802 1/20 0.39
CDK2 P24941 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CLK1 P49759 1/20 0.39

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
SCHEMBL6178962 0.90 MAPK14 (0.89) MAPK14WNT3APRKACAROCK1KMT2A
SCHEMBL6176420 0.89 MAPK14 (0.81) MAPK14WNT3APRKACAROCK1GSK3B
SCHEMBL6180514 0.88 MAPK14 (0.89) MAPK14WNT3APRKACAROCK1MEN1
SCHEMBL6177762 0.87 MAPK14 (0.78) MAPK14WNT3APRKACAROCK1GSK3B
SCHEMBL6178004 0.86 MAPK14 (0.82) MAPK14WNT3APRKACAROCK1GSK3B
SCHEMBL6179153 0.85 MAPK14 (0.81) MAPK14WNT3APRKACAROCK1KMT2A
SCHEMBL6179313 0.85 MAPK14 (0.81) MAPK14WNT3APRKACAROCK1KMT2A
SCHEMBL6177800 0.85 MAPK14 (1.00) MAPK14WNT3APRKACAROCK1GSK3B
SCHEMBL6176676 0.84 MAPK14 (0.76) MAPK14PRKACAROCK1MEN1KMT2A
SCHEMBL6177353 0.84 MAPK14 (0.79) MAPK14WNT3APRKACAROCK1GSK3B

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