SCHEMBL6178495

SCHEMBL6178495

COc1cccc(CC(=O)Nc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn2C)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.49
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
GLS O94925 2/20 0.42
USP2 O75604 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CSNK1D P48730 1/20 0.39
CSNK1E P49674 1/20 0.39
SRC P12931 1/20 0.39
BRAF P15056 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
SCHEMBL4339530 0.92 MAPK14 (0.53) MAPK14USP2CYP1A2CYP3A4CYP2D6
SCHEMBL6175778 0.86 MAPK14 (0.52) MAPK14MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL13785079 0.85 MAPK14 (0.54) MAPK14MAPTKDM4ECSNK1DCSNK1E
SCHEMBL4337031 0.85 MAPK14 (0.52) MAPK14ROCK1MAPTMEN1KMT2A
SCHEMBL6178426 0.85 MAPK14 (0.56) MAPK14MAPTKDM4ECSNK1DCSNK1E
SCHEMBL4329813 0.85 MAPK14 (0.56) MAPK14ROCK1MEN1KMT2AKDM4E
SCHEMBL4335571 0.85 NR3C2 (0.46) MAPK14TP53MAPTMEN1KMT2A
SCHEMBL6179743 0.84 MAPK14 (0.55) MAPK14ROCK1MAPTKDM4ECSNK1D
SCHEMBL4338017 0.84 MAPK14 (0.55) MAPK14KDM4ECSNK1DCSNK1E
SCHEMBL4329196 0.84 MAPK14 (0.55) MAPK14KDM4ECSNK1DCSNK1ESRC

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