SCHEMBL4593023

SCHEMBL4593023

Cc1cnc(Nc2ccc(N3CCN(Cc4nccn4C)CC3)cc2)nc1-c1ccc(N2CCCC2C(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 9/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
SYK P43405 8/20 0.48
JAK3 P52333 6/20 0.47
JAK1 P23458 4/20 0.47
BRD4 O60885 1/20 0.43

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
SCHEMBL4380385 0.88 JAK2 (0.53) JAK2HDAC1HDAC6SYKJAK3
SCHEMBL4383588 0.84 JAK2 (0.67) JAK2HDAC1HDAC6SYKJAK3
SCHEMBL4390388 0.83 JAK2 (0.55) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4376808 0.83 JAK2 (0.55) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4376796 0.83 JAK2 (0.55) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4375451 0.82 JAK2 (0.54) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4375456 0.82 JAK2 (0.54) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4385564 0.82 JAK2 (0.54) JAK2HDAC1HDAC6JAK3JAK1
SCHEMBL4541386 0.77 JAK2 (0.52) JAK2HDAC1HDAC6SYKJAK3
SCHEMBL4379942 0.75 JAK2 (0.61) JAK2HDAC1HDAC6SYKJAK3

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 claimed