SCHEMBL4592697

SCHEMBL4592697

CCN1CCN(c2ccc(Nc3ncc(C)c(-c4ccc(NC(=O)CCOC)cc4)n3)cc2)CC1.Nc1ccc(-c2ccnc(Nc3ccc(N4CCC(N)CC4)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.51
HDAC1 Q13547 7/20 0.51
HDAC6 Q9UBN7 6/20 0.51
EGFR P00533 2/20 0.47
JAK3 P52333 7/20 0.46
JAK1 P23458 3/20 0.46
TYK2 P29597 1/20 0.46
ACVR1 Q04771 2/20 0.44

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
SCHEMBL4377784 0.86 JAK2 (0.65) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4378205 0.85 JAK2 (0.64) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL8230904 0.78 JAK2 (0.56) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4383566 0.78 JAK2 (0.77) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4376799 0.77 JAK2 (0.68) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4383788 0.77 JAK2 (0.59) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4382690 0.76 JAK2 (0.58) JAK2EGFRJAK3
SCHEMBL4383808 0.76 JAK2 (0.64) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4376881 0.76 JAK2 (0.75) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4379074 0.75 JAK2 (0.61) JAK2HDAC1HDAC6JAK3JAK1

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-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed