SCHEMBL14196005

SCHEMBL14196005

CN(CCO)CCCOc1cccc(Nc2nccc(-c3cnc(-c4cccc(-c5ccccc5)c4)[nH]3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.42
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
PRKCA P17252 1/20 0.42
PRKCD Q05655 1/20 0.42
SYK P43405 7/20 0.42
AIMP2 Q13155 1/20 0.41
JAK2 O60674 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC6 Q9UBN7 3/20 0.41
GSK3B P49841 3/20 0.41
PIK3CG P48736 3/20 0.40
IGF1R P08069 2/20 0.40
MAPK8 P45983 2/20 0.40
CAMKK2 Q96RR4 2/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40

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
SCHEMBL14196001 0.94 SYK (0.45) KITABL1BCREGFRSRC
SCHEMBL14195963 0.92 PIK3CG (0.48) KITABL1BCREGFRSRC
SCHEMBL14224452 0.91 ABL1 (0.50) KITABL1BCREGFRSRC
SCHEMBL14195983 0.87 GSK3B (0.44) KITABL1BCREGFRSRC
SCHEMBL14224271 0.86 ABL1 (0.46) KITABL1BCREGFRSRC
SCHEMBL14224086 0.84 AIMP2 (0.49) ABL1BCREGFRSRCPRKCA
SCHEMBL14195950 0.83 PIK3CG (0.53) ABL1BCREGFRSRCPRKCA
SCHEMBL14224080 0.83 GSK3B (0.47) ABL1BCREGFRSRCPRKCA
SCHEMBL14224355 0.82 SYK (0.55) ABL1BCREGFRSRCPRKCA
SCHEMBL14224448 0.82 KIT (0.54) KITABL1BCREGFRSRC

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