SCHEMBL14224448

SCHEMBL14224448

CN(C)CCCOc1cccc(Nc2nccc(-c3cnc(-c4cccnc4)[nH]3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.54
ABL1 P00519 12/20 0.54
BCR P11274 10/20 0.54
SRC P12931 4/20 0.54
PRKCA P17252 4/20 0.54
PRKCD Q05655 3/20 0.54
EGFR P00533 2/20 0.54
NR4A1 P22736 2/20 0.49
NPY5R Q15761 1/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
ABL2 P42684 1/20 0.45
SYK P43405 1/20 0.44
ACVR1 Q04771 1/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
GSK3B P49841 1/20 0.44
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43

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
SCHEMBL14224452 0.91 ABL1 (0.50) KITABL1BCRSRCPRKCA
SCHEMBL14195964 0.89 ABL1 (0.56) KITABL1BCRSRCPRKCA
SCHEMBL14224269 0.86 ABL1 (0.51) KITABL1BCRSRCPRKCA
SCHEMBL14195955 0.85 ABL1 (0.53) KITABL1BCRSRCPRKCA
SCHEMBL14196017 0.84 ABL1 (0.56) KITABL1BCRSRCPRKCA
SCHEMBL14224137 0.84 ABL1 (0.66) ABL1BCRSRCPRKCAPRKCD
SCHEMBL14196025 0.83 ABL1 (0.54) KITABL1BCRSRCPRKCA
SCHEMBL14195984 0.82 GSK3B (0.48) KITABL1BCRSRCPRKCA
SCHEMBL14196005 0.82 KIT (0.42) KITABL1BCRSRCPRKCA
SCHEMBL14195963 0.82 PIK3CG (0.48) KITABL1BCRSRCPRKCA

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 1 patent. 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