SCHEMBL4453415

SCHEMBL4453415

Clc1cc(Nc2nccc(-c3ccc(N4CCCC4)cc3)n2)ccc1N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.65
MYLK4 Q86YV6 1/20 0.62
STK17A Q9UEE5 1/20 0.62
JAK3 P52333 5/20 0.60
JAK1 P23458 3/20 0.59
TYK2 P29597 2/20 0.59
CAMK2D Q13557 1/20 0.59
HDAC3 O15379 1/20 0.59
NCOR1 O75376 1/20 0.59
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
SMG1 Q96Q15 1/20 0.57

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
SCHEMBL4374484 0.84 JAK2 (0.75) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL4378148 0.84 JAK2 (0.78) JAK2JAK3JAK1TYK2CAMK2D
SCHEMBL4388319 0.83 JAK2 (0.58) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL4393215 0.83 JAK2 (0.58) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL4378310 0.81 JAK2 (0.86) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL12801556 0.80 JAK2 (0.71) JAK2MYLK4STK17AJAK3JAK1
SCHEMBL12801543 0.80 JAK2 (0.67) JAK2JAK3CAMK2DSMG1
SCHEMBL13226352 0.80 JAK2 (0.70) JAK2STK17AJAK3JAK1TYK2
SCHEMBL4385348 0.80 JAK2 (0.79) JAK2JAK3JAK1TYK2
SCHEMBL4386596 0.80 JAK2 (0.79) JAK2JAK3JAK1TYK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO claimed