SCHEMBL4584376

SCHEMBL4584376

CC(C)C(=O)N1CCN(c2ccc(Nc3nccc(-c4cc[c]cc4)n3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 17/20 0.58
JAK3 P52333 12/20 0.58
CDK2 P24941 4/20 0.57
JAK1 P23458 6/20 0.56
HDAC1 Q13547 3/20 0.56
TYK2 P29597 2/20 0.56
CDK9 P50750 2/20 0.56
BMPR1B O00238 1/20 0.56
PLK4 O00444 1/20 0.56
CIT O14578 1/20 0.56
GAK O14976 1/20 0.56
OPA1 O60313 1/20 0.56
ROCK2 O75116 1/20 0.56
STK16 O75716 1/20 0.56
PRKD3 O94806 1/20 0.56
CSNK2A2 P19784 1/20 0.56
MARK3 P27448 1/20 0.56
BMPR1A P36894 1/20 0.56
TGFBR1 P36897 1/20 0.56
STAT3 P40763 1/20 0.56

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
SCHEMBL4566128 0.92 JAK2 (0.61) JAK2JAK3CDK2JAK1HDAC1
SCHEMBL4380467 0.87 JAK2 (0.77) JAK2JAK3CDK2JAK1HDAC1
SCHEMBL4377373 0.86 JAK2 (0.58) JAK2JAK3CDK2JAK1HDAC1
SCHEMBL4383485 0.85 JAK2 (0.57) JAK2JAK3CDK2JAK1HDAC1
SCHEMBL4383482 0.85 JAK2 (0.78) JAK2JAK3CDK2JAK1HDAC1
SCHEMBL4391521 0.85 JAK2 (0.78) JAK2JAK3CDK2JAK1HDAC1
SCHEMBL4378864 0.84 JAK2 (0.64) JAK2JAK3JAK1HDAC1TYK2
SCHEMBL4379816 0.84 CDK2 (0.51) JAK2JAK3CDK2CDK9AURKA
SCHEMBL4384366 0.83 JAK2 (0.60) JAK2JAK3CDK2JAK1HDAC1
SCHEMBL4381964 0.83 JAK2 (0.64) JAK2JAK3CDK2JAK1HDAC1

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