SCHEMBL14224451

SCHEMBL14224451

Oc1cccc(-c2ncc(-c3ccnc(Nc4cccc(OCCCN5CCNCC5)c4)n3)[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 1/20 0.47
SYK P43405 3/20 0.47
ABL1 P00519 3/20 0.45
BCR P11274 3/20 0.45
EGFR P00533 2/20 0.45
SRC P12931 2/20 0.45
PRKCA P17252 1/20 0.45
PRKCD Q05655 1/20 0.45
JAK2 O60674 4/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
CAMK2D Q13557 1/20 0.41
ACVR1 Q04771 1/20 0.41
EPHX2 P34913 3/20 0.41
GSK3B P49841 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
ITK Q08881 1/20 0.39
PDGFRB P09619 1/20 0.38

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
SCHEMBL14196029 0.92 AIMP2 (0.49) AIMP2SYKABL1BCREGFR
SCHEMBL14224356 0.92 AIMP2 (0.48) AIMP2SYKABL1BCREGFR
SCHEMBL14196023 0.91 AIMP2 (0.45) AIMP2SYKABL1BCREGFR
SCHEMBL14195975 0.91 AIMP2 (0.49) AIMP2SYKABL1BCREGFR
SCHEMBL14196025 0.91 ABL1 (0.54) AIMP2SYKABL1BCREGFR
SCHEMBL14224091 0.90 SYK (0.49) AIMP2SYKABL1BCREGFR
SCHEMBL14224454 0.90 AIMP2 (0.47) AIMP2SYKABL1BCREGFR
SCHEMBL14196038 0.86 SYK (0.50) AIMP2SYKABL1BCREGFR
SCHEMBL14195992 0.86 AIMP2 (0.48) AIMP2SYKABL1BCREGFR
SCHEMBL14224136 0.85 ABL1 (0.42) AIMP2SYKABL1BCREGFR

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