SCHEMBL8236183

SCHEMBL8236183

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(N4CCN(Cc5ccccc5CC(F)(F)F)CC4)c3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.67
JAK3 P52333 2/20 0.53
HDAC1 Q13547 5/20 0.52
HDAC6 Q9UBN7 5/20 0.52
SYK P43405 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
LDLR P01130 1/20 0.46
KIT P10721 1/20 0.46
PCSK9 Q8NBP7 1/20 0.46

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
SCHEMBL4376382 0.89 JAK2 (0.64) JAK2JAK3HDAC1HDAC6SYK
SCHEMBL4385265 0.88 JAK2 (0.70) JAK2JAK3HDAC1HDAC6KDM4E
SCHEMBL4377917 0.87 JAK2 (0.68) JAK2JAK3HDAC1HDAC6LDLR
SCHEMBL4380211 0.85 JAK2 (0.72) JAK2JAK3HDAC1HDAC6KDM4E
SCHEMBL4381477 0.84 JAK2 (0.73) JAK2JAK3HDAC1HDAC6SYK
SCHEMBL4378602 0.84 JAK2 (0.65) JAK2JAK3HDAC1HDAC6SYK
SCHEMBL4383246 0.83 JAK2 (0.64) JAK2JAK3HDAC1HDAC6KDM4E
SCHEMBL4382746 0.83 JAK2 (0.71) JAK2JAK3HDAC1HDAC6SYK
SCHEMBL4380361 0.83 JAK2 (0.71) JAK2JAK3HDAC1HDAC6SYK
SCHEMBL4385527 0.82 JAK2 (0.76) JAK2JAK3HDAC1HDAC6

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
WO-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO disclosed