SCHEMBL6176141

SCHEMBL6176141

O=C(Cc1ccccc1Cl)Nc1c(-c2ccncc2)c(-c2ccc(F)cc2)nn1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.54
SRC P12931 4/20 0.52
BRAF P15056 4/20 0.52
KDR P35968 4/20 0.52
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
RIPK2 O43353 1/20 0.42
EGFR P00533 1/20 0.42
TNK2 Q07912 1/20 0.42
PTK6 Q13882 1/20 0.42
MINK1 Q8N4C8 1/20 0.42
DGAT2 Q96PD7 1/20 0.42
P2RX7 Q99572 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
SCHEMBL4338017 0.87 MAPK14 (0.55) MAPK14KDM4EEGFR
SCHEMBL6176484 0.86 MAPK14 (0.53) MAPK14SRCBRAFKDRRIPK2
SCHEMBL4338910 0.85 MAPK14 (0.52) MAPK14SRCBRAFKDRRIPK2
SCHEMBL6177187 0.79 SRC (0.50) MAPK14SRCBRAFKDRRIPK2
SCHEMBL6176150 0.79 BRAF (0.55) MAPK14SRCBRAFKDRKDM4E
SCHEMBL6178426 0.78 MAPK14 (0.56) MAPK14SRCBRAFKDRKDM4E
SCHEMBL4329813 0.78 MAPK14 (0.56) MAPK14SRCBRAFKDRKDM4E
SCHEMBL6176783 0.78 MAPK14 (0.50) MAPK14SRCBRAFKDRKDM4E
SCHEMBL4329196 0.78 MAPK14 (0.55) MAPK14SRCBRAFKDRKDM4E
SCHEMBL4336955 0.78 MAPK14 (0.52) MAPK14SRCBRAFKDRKDM4E

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