SCHEMBL4583374

SCHEMBL4583374

O=C(c1ccccn1)N1CCN(c2cccc(Nc3nccc(-c4cc[c]cc4)n3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.54
JAK3 P52333 1/20 0.50
FLT3 P36888 7/20 0.49
CDK2 P24941 6/20 0.49
CDK1 P06493 4/20 0.49
CCNB1 P14635 4/20 0.49
CCNE1 P24864 3/20 0.49
CCNT1 O60563 2/20 0.49
CCNA2 P20248 2/20 0.49
CDK9 P50750 2/20 0.49
CDK7 P50613 2/20 0.49
CCNH P51946 2/20 0.49
MNAT1 P51948 2/20 0.49
SRC P12931 2/20 0.49
ABL1 P00519 2/20 0.49
BCR P11274 2/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CAMK2D Q13557 3/20 0.47
SYK P43405 3/20 0.46

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
SCHEMBL4379373 0.87 JAK2 (0.73) JAK2JAK3FLT3CDK2CDK1
SCHEMBL4558034 0.84 JAK2 (0.58) JAK2JAK3FLT3CDK2CDK1
SCHEMBL4380880 0.78 JAK2 (0.72) JAK2JAK3FLT3CDK2CDK1
SCHEMBL4379476 0.77 JAK2 (0.76) JAK2JAK3FLT3CDK2CDK1
SCHEMBL4603072 0.75 JAK2 (0.54) JAK2JAK3FLT3CDK2CDK1
SCHEMBL4378640 0.75 JAK2 (0.51) JAK2JAK3FLT3CDK2CDK1
SCHEMBL4382424 0.75 JAK2 (0.76) JAK2JAK3FLT3CDK2CDK1
SCHEMBL4378197 0.75 JAK2 (0.72) JAK2JAK3FLT3CDK2CDK1
SCHEMBL4377340 0.75 JAK2 (0.72) JAK2JAK3FLT3CDK2CDK1
SCHEMBL8236514 0.75 JAK2 (0.82) JAK2JAK3FLT3CDK2CDK1

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