SCHEMBL7227283

SCHEMBL7227283

CC(Nc1ccc(CN(C)C)cc1)=C1C(=O)Nc2ccc(C(=O)N(C)C)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.42
AKT2 P31751 7/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
LSS P48449 1/20 0.38
ROCK2 O75116 2/20 0.38
PDPK1 O15530 4/20 0.38
AKT1 P31749 1/20 0.37
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
PDK1 Q15118 1/20 0.35
LRRK2 Q5S007 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL7227276 1.00 JAK3 (0.42) JAK3AKT2PDK2PDK4LSS
SCHEMBL7233874 0.91 RAB9A (0.38) JAK3AKT2LSSROCK2PDPK1
SCHEMBL7233883 0.91 RAB9A (0.38) JAK3AKT2LSSROCK2PDPK1
SCHEMBL7235053 0.90 ACHE (0.45) JAK3
SCHEMBL7235050 0.90 ACHE (0.45) JAK3
SCHEMBL7234212 0.89 ALDH1A1 (0.39) JAK3AKT2LSSROCK2PDPK1
SCHEMBL8188477 0.89 HTT (0.46) JAK3AKT2ROCK2PDPK1AKT1
SCHEMBL7234207 0.89 ALDH1A1 (0.39) JAK3AKT2LSSROCK2PDPK1
SCHEMBL8188481 0.89 HTT (0.46) JAK3AKT2ROCK2PDPK1AKT1
SCHEMBL7225609 0.89 JAK3 (0.42) JAK3AKT2ROCK2PDPK1AKT1

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
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 US disclosed