SCHEMBL4558034

SCHEMBL4558034

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.58
JAK3 P52333 1/20 0.55
CDK2 P24941 6/20 0.53
CCNT1 O60563 2/20 0.53
CCNA2 P20248 2/20 0.53
CDK9 P50750 2/20 0.53
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
FLT3 P36888 7/20 0.51
CDK1 P06493 4/20 0.51
CCNB1 P14635 4/20 0.51
CCNE1 P24864 3/20 0.51
CDK7 P50613 2/20 0.51
CCNH P51946 2/20 0.51
MNAT1 P51948 2/20 0.51
CAMK2D Q13557 3/20 0.48
KIT P10721 2/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
PLK4 O00444 1/20 0.47

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
SCHEMBL4375224 0.88 JAK2 (0.77) JAK2JAK3CDK2CCNT1CCNA2
SCHEMBL4583374 0.84 JAK2 (0.54) JAK2JAK3CDK2CCNT1CCNA2
SCHEMBL4378640 0.80 JAK2 (0.51) JAK2JAK3CDK2CCNT1CCNA2
SCHEMBL8236514 0.78 JAK2 (0.82) JAK2JAK3CDK2CCNT1CCNA2
SCHEMBL4382278 0.78 JAK2 (0.72) JAK2JAK3CDK2CCNT1CCNA2
SCHEMBL4377047 0.78 JAK2 (0.72) JAK2JAK3CDK2CCNT1CCNA2
SCHEMBL4828753 0.77 JAK2 (0.55) JAK2JAK3CDK2CCNT1CCNA2
SCHEMBL4378380 0.77 JAK2 (0.71) JAK2JAK3CDK2CCNT1CCNA2
SCHEMBL4379799 0.76 JAK2 (0.73) JAK2JAK3CDK2CCNT1CCNA2
SCHEMBL4376481 0.76 JAK2 (0.76) JAK2JAK3CDK2CCNT1CCNA2

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-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed