SCHEMBL8230461

SCHEMBL8230461

CC(C)(N)c1ccc(-c2ccnc(NCCCNC(=O)c3c(Cl)cccc3Cl)n2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.73
JAK3 P52333 1/20 0.44
AKT3 Q9Y243 5/20 0.44
DGAT1 O75907 2/20 0.42
CDC7 O00311 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
POLB P06746 1/20 0.39
ABL1 P00519 2/20 0.39
EGFR P00533 1/20 0.39
SRC P12931 1/20 0.39
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
BCR P11274 1/20 0.39
HDAC1 Q13547 1/20 0.38
RAF1 P04049 2/20 0.38
BRAF P15056 2/20 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
SCHEMBL4381666 0.88 JAK2 (0.75) JAK2JAK3AKT3DGAT1CDC7
SCHEMBL4380086 0.86 JAK2 (0.75) JAK2JAK3AKT3DGAT1CDC7
SCHEMBL4374519 0.85 JAK2 (0.75) JAK2JAK3AKT3DGAT1CDC7
SCHEMBL4385023 0.85 JAK2 (1.00) JAK2JAK3POLBHDAC1
SCHEMBL4381813 0.83 JAK2 (0.71) JAK2JAK3AKT3DGAT1BRAF
SCHEMBL4454789 0.83 JAK2 (0.71) JAK2JAK3AKT3DGAT1HDAC1
SCHEMBL4375319 0.82 JAK2 (0.69) JAK2ABL1EGFRSRCBCR
SCHEMBL4380093 0.81 JAK2 (0.68) JAK2JAK3HDAC1
SCHEMBL4383184 0.81 JAK2 (0.76) JAK2JAK3POLBABL1SRC
SCHEMBL4383774 0.80 JAK2 (0.78) JAK2JAK3DGAT1POLBABL1

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