SCHEMBL14196001

SCHEMBL14196001

CN(CCO)CCCOc1cccc(Nc2nccc(-c3cnc(-c4cccc(Oc5ccccc5)c4)[nH]3)n2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 9/20 0.45
KIT P10721 1/20 0.43
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
AIMP2 Q13155 1/20 0.40
JAK2 O60674 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
GSK3B P49841 1/20 0.40
IGF1R P08069 2/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 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
SCHEMBL14196005 0.94 KIT (0.42) SYKKITABL1BCREGFR
SCHEMBL14195963 0.92 PIK3CG (0.48) SYKKITABL1BCREGFR
SCHEMBL14224452 0.90 ABL1 (0.50) SYKKITABL1BCREGFR
SCHEMBL14195983 0.87 GSK3B (0.44) SYKKITABL1BCREGFR
SCHEMBL14224138 0.87 SYK (0.47) SYKKITABL1BCREGFR
SCHEMBL14224359 0.84 AIMP2 (0.48) SYKABL1BCREGFRSRC
SCHEMBL14195950 0.83 PIK3CG (0.53) SYKABL1BCREGFRSRC
SCHEMBL14224355 0.83 SYK (0.55) SYKABL1BCREGFRSRC
SCHEMBL14224075 0.81 AIMP2 (0.48) SYKABL1BCREGFRSRC
SCHEMBL14224140 0.81 AIMP2 (0.50) SYKKITABL1BCREGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361665-B2 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-22 US disclosed
US-7361665-B2 Inhibitors of c-Jun N-terminal kinases (JNK) and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-04-22 US disclosed