SCHEMBL14348352

SCHEMBL14348352

Nc1cccc(Nc2nccc(-c3ccc(NC(=O)CN4CCCC(CO)C4)cc3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 13/20 0.51
HDAC1 Q13547 7/20 0.51
HDAC6 Q9UBN7 7/20 0.51
ABL1 P00519 3/20 0.51
BCR P11274 3/20 0.51
SRC P12931 3/20 0.51
CDK5 Q00535 1/20 0.47
EGFR P00533 1/20 0.47
PRKACA P17612 1/20 0.47
PRKACG P22612 1/20 0.47
PRKACB P22694 1/20 0.47
JAK3 P52333 3/20 0.46
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
PLK1 P53350 1/20 0.43
PDGFRB P09619 1/20 0.42
PDGFRA P16234 1/20 0.42

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
SCHEMBL14348354 0.90 JAK2 (0.54) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL8350600 0.86 MAPK10 (0.44)
SCHEMBL8349401 0.85 JAK2 (0.53) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL8349351 0.85 JAK2 (0.58) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL14348362 0.83 JAK2 (0.56) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL4382875 0.83 JAK2 (0.63) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL14338269 0.82 JAK2 (0.47) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL8349109 0.76 JAK2 (0.61) JAK2ABL1BCRSRCEGFR
SCHEMBL14348343 0.76 ABL1 (0.54) JAK2HDAC1HDAC6ABL1BCR
SCHEMBL14338271 0.76 JAK2 (0.47) JAK2HDAC1HDAC6ABL1BCR

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-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed
US-7312227-B2 Compositions useful as inhibitors of JAK and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-25 US disclosed