SCHEMBL78493

SCHEMBL78493

c1ccc(Oc2ccc3nccc(Nc4ccc(Sc5ccccc5)cc4)c3c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.67
HTT P42858 1/20 0.49
MAPKAPK2 P49137 5/20 0.46
GAK O14976 2/20 0.46
RIPK2 O43353 1/20 0.46
COQ8A Q8NI60 1/20 0.46
NLK Q9UBE8 1/20 0.46
KDR P35968 2/20 0.44
TEK Q02763 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
NTSR1 P30989 1/20 0.44
RAD52 P43351 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
PAX8 Q06710 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL28133700 0.81 ERBB2 (0.71) ERBB2HTTMAPKAPK2GAKRIPK2
SCHEMBL1387165 0.81 ERBB2 (1.00) ERBB2HTTGAKRIPK2COQ8A
Hydrochloric Acid SCHEMBL8812168 0.79 ERBB2 (0.97) ERBB2HTTGAKRIPK2COQ8A
SCHEMBL10000194 0.78 ERBB2 (0.94) ERBB2HTTGAKRIPK2COQ8A
SCHEMBL2595327 0.77 ERBB2 (0.64) ERBB2HTTMAPKAPK2GAKRIPK2
SCHEMBL15607515 0.76 ERBB2 (0.58) ERBB2HTTMAPKAPK2GAKRIPK2
SCHEMBL5948717 0.76 ERBB2 (0.66) ERBB2HTTMAPKAPK2GAKKDR
SCHEMBL8809979 0.76 FGFR2 (0.72) ERBB2HTTGAKRIPK2COQ8A
SCHEMBL15607661 0.76 ERBB2 (0.56) ERBB2HTTMAPKAPK2GAKRIPK2
Hydrochloric Acid SCHEMBL8933873 0.75 FGFR2 (0.70) ERBB2HTTGAKRIPK2COQ8A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4719831-B2 2011-07-06 JP claimed
US-20030219427-A1 TPL-2/COT kinase and methods of use MEDICAL RESEARCH COUNCIL (GB) 2003-11-27 US claimed
JP-2002531058-A 2002-09-24 JP claimed
US-20020099169-A1 TPL-2/COT KINASE AND METHODS OF USE BASF AKTIENGESELLCHAFT 2002-07-25 US claimed
EP-1105501-A2 TPL-2/COT KINASE AND METHODS OF USE BASF Aktiengesellschaft (US) 2001-06-13 EP claimed
WO-2000011191-A2 TPL-2/COT KINASE AND METHODS OF USE BASF AKTIENGESELLSCHAFT (US) 2000-03-02 WO claimed
US-20030219427-A1 TPL-2/COT kinase and methods of use MEDICAL RESEARCH COUNCIL (GB) 2003-11-27 US disclosed
US-20020099169-A1 TPL-2/COT KINASE AND METHODS OF USE BASF AKTIENGESELLCHAFT 2002-07-25 US disclosed
EP-1105501-A2 TPL-2/COT KINASE AND METHODS OF USE BASF Aktiengesellschaft (US) 2001-06-13 EP disclosed
WO-2000011191-A2 TPL-2/COT KINASE AND METHODS OF USE BASF AKTIENGESELLSCHAFT (US) 2000-03-02 WO disclosed