SCHEMBL6618457

SCHEMBL6618457

CCCNC(=O)n1nc(-c2ccc(NC(=O)c3ccno3)cc2O)cc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.41
▸ HTR2A P28223 1/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 2/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CRACR2A Q9BSW2 4/20 0.35
▸ HSD11B1 P28845 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33

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
SCHEMBL6614689 0.93 MAPK14 (0.44) MAPK14KDM4CHTR2AKMT2AMEN1
SCHEMBL6614939 0.89 KDM4C (0.41) MAPK14KDM4CHTR2AKMT2AMEN1
SCHEMBL6615451 0.87 MAPK14 (0.43) MAPK14KDM4CHTR2AKMT2AMEN1
SCHEMBL6616464 0.87 KDM4C (0.42) MAPK14KDM4CHTR2AKMT2AMEN1
SCHEMBL6617014 0.87 KDM4C (0.41) MAPK14KDM4CHTR2AKMT2AMEN1
SCHEMBL6617873 0.86 MAPK14 (0.40) MAPK14KDM4CHTR2AKMT2AMEN1
SCHEMBL6618842 0.86 RAB9A (0.42) MAPK14KMT2AMEN1
SCHEMBL6617028 0.86 KDM4C (0.42) MAPK14KDM4CHTR2AKMT2AMEN1
SCHEMBL6618817 0.85 MAPK14 (0.43) MAPK14KDM4CHTR2AKMT2AMEN1
SCHEMBL6615529 0.85 MAPK14 (0.41) MAPK14KDM4CHTR2AKMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP disclosed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO disclosed
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