SCHEMBL4662702

SCHEMBL4662702

CC(O)c1ccccc1N(C)Cc1ccc(Nc2ccccc2Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.42
JAK1 P23458 8/20 0.42
TYK2 P29597 8/20 0.42
JAK3 P52333 8/20 0.42
CDK4 P11802 3/20 0.39
CDK2 P24941 3/20 0.39
CCNE1 P24864 1/20 0.39
CNR2 P34972 2/20 0.39
SYK P43405 1/20 0.35
AOC3 Q16853 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
AURKA O14965 1/20 0.34
MELK Q14680 1/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4661449 0.83 CDK4 (0.38) CDK4CDK2CCNE1AOC3ADRB2
SCHEMBL4661583 0.83 CDK4 (0.38) CDK4CDK2CCNE1AOC3ADRB2
SCHEMBL4661242 0.82 POLB (0.45) CDK4CDK2SYKMAPT
SCHEMBL4662703 0.81 JAK2 (0.40) JAK2JAK1TYK2JAK3CDK4
SCHEMBL4347258 0.77 MEN1 (0.49) JAK2JAK1TYK2JAK3CDK4
SCHEMBL4662728 0.76 MMP2 (0.43) AOC3RAB9A
SCHEMBL4661434 0.72 CDK4 (0.40) CDK4CDK2MAPT
SCHEMBL4661365 0.71 ACACB (0.43)
SCHEMBL4662765 0.71 CDK4 (0.38) CDK4CDK2
SCHEMBL4661323 0.70 ALDH1A1 (0.41) MAPT

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
EP-2007707-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2008-12-31 EP disclosed
WO-2007118041-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 WO disclosed