SCHEMBL8236571

SCHEMBL8236571

CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(NCc4cc(C)ccc4F)c3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 15/20 0.59
JAK3 P52333 1/20 0.58
HDAC1 Q13547 7/20 0.56
HDAC6 Q9UBN7 7/20 0.56
PLK1 P53350 1/20 0.52
SYK P43405 1/20 0.49
PIK3CA P42336 1/20 0.48
PIK3CG P48736 1/20 0.48
ABL1 P00519 1/20 0.48
PDGFRB P09619 1/20 0.48
BCR P11274 1/20 0.48
PDGFRA P16234 1/20 0.48

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
SCHEMBL4390282 0.91 JAK2 (0.61) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4378641 0.90 JAK2 (0.58) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4381641 0.90 JAK2 (0.65) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL28775827 0.84 JAK2 (0.64) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4374510 0.84 JAK2 (0.63) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4383514 0.83 JAK2 (0.65) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4376979 0.83 JAK2 (0.62) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4376497 0.82 JAK2 (0.72) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4375557 0.79 JAK2 (0.79) JAK2JAK3HDAC1HDAC6PLK1
SCHEMBL4383223 0.78 JAK2 (0.66) JAK2JAK3HDAC1HDAC6PLK1

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