SCHEMBL4584240

SCHEMBL4584240

O=C(C1CC1)N(c1ccccc1)c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.68
▸ JAK3 P52333 12/20 0.62
▸ JAK1 P23458 5/20 0.62
▸ TYK2 P29597 3/20 0.62
▸ HDAC3 O15379 1/20 0.62
▸ NCOR1 O75376 1/20 0.62
▸ HDAC1 Q13547 1/20 0.62
▸ HDAC2 Q92769 1/20 0.62
▸ HDAC8 Q9BY41 1/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62
▸ PDGFRB P09619 2/20 0.60
▸ FLT3 P36888 2/20 0.60
▸ IKBKB O14920 1/20 0.60
▸ KIT P10721 1/20 0.60
▸ PDGFRA P16234 1/20 0.60
▸ FLT1 P17948 1/20 0.60
▸ RPS6KB1 P23443 1/20 0.60
▸ FLT4 P35916 1/20 0.60
▸ KDR P35968 1/20 0.60
▸ MAP3K9 P80192 1/20 0.60

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
SCHEMBL4377157 0.91 JAK2 (0.74) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL4378731 0.83 JAK2 (0.81) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL4380259 0.83 JAK2 (0.70) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL28254694 0.82 JAK2 (1.00) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL4383114 0.82 JAK2 (0.72) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL4393244 0.82 JAK2 (0.78) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL4378486 0.81 JAK2 (0.82) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL2865873 0.81 JAK2 (0.82) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL4584236 0.81 JAK2 (0.67) JAK2JAK3JAK1TYK2HDAC3
SCHEMBL4387681 0.81 JAK2 (0.77) JAK2JAK3JAK1TYK2HDAC3

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