SCHEMBL4464308

SCHEMBL4464308

CN(CCc1ccccc1)c1ccc(Nc2nccc(-c3cc[c]cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.46
JAK3 P52333 1/20 0.46
IKBKB O14920 4/20 0.46
RET P07949 2/20 0.46
MAPK10 P53779 2/20 0.44
MAPK8 P45983 1/20 0.44
CAMK2D Q13557 4/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCD Q05655 1/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CDK19 Q9BWU1 1/20 0.40
ALK Q9UM73 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AURKA O14965 1/20 0.40
CDK1 P06493 1/20 0.40
CDK4 P11802 1/20 0.40

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
SCHEMBL4384375 0.84 JAK2 (0.70) JAK2JAK3IKBKBCAMK2DHDAC1
SCHEMBL28651097 0.81 IKBKB (0.53) JAK2JAK3IKBKBRETMAPK10
SCHEMBL14021189 0.71 CAMK2D (0.54) JAK2JAK3IKBKBMAPK10MAPK8
SCHEMBL13185630 0.71 IKBKB (0.60) JAK2JAK3IKBKBMAPK10MAPK8
SCHEMBL709831 0.70 IKBKB (0.59) JAK2JAK3IKBKBMAPK10MAPK8
SCHEMBL1593016 0.69 PRKCD (0.79) JAK2JAK3IKBKBMAPK10MAPK8
SCHEMBL8239747 0.69 IKBKB (0.51) JAK2JAK3IKBKBMAPK10MAPK8
SCHEMBL7467187 0.68 CDK2 (0.60) JAK2JAK3IKBKBMAPK10MAPK8
SCHEMBL710850 0.68 CAMK2D (0.63) JAK2JAK3IKBKBMAPK10MAPK8
SCHEMBL12274489 0.66 PIK3CG (0.57) JAK2IKBKBMAPK8ABL1EGFR

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 3 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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO disclosed
WO-2008124085-A2 METHODS OF USING COMBINATIONS OF MEK AND JAK-2 INHIBITORS EXELIXIS, INC. (US) 2008-10-16 WO disclosed