SCHEMBL8317782

SCHEMBL8317782

CC[C@@H](CO)Nc1nccc(-c2c(C)[nH]c(C(=O)NCCO)c2C)n1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 4/20 0.45
CDK4 P11802 10/20 0.45
CDK2 P24941 10/20 0.45
SYK P43405 2/20 0.38
JAK2 O60674 2/20 0.38
FLT3 P36888 1/20 0.38
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
DYRK1B Q9Y463 1/20 0.34

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
SCHEMBL4413081 0.87 CDK4 (0.48) EIF2AK2CDK4CDK2SYKJAK2
SCHEMBL4413076 0.87 CDK4 (0.48) EIF2AK2CDK4CDK2SYKJAK2
SCHEMBL4425029 0.84 EIF2AK2 (0.46) EIF2AK2CDK4CDK2SYKJAK2
SCHEMBL4425032 0.84 EIF2AK2 (0.46) EIF2AK2CDK4CDK2SYKJAK2
SCHEMBL14011298 0.83 EIF2AK2 (0.48) EIF2AK2CDK4CDK2SYKJAK2
SCHEMBL8321187 0.81 NPSR1 (0.33) CDK4SYKNPSR1
SCHEMBL14011247 0.79 MAPK1 (0.43) EIF2AK2CDK4CDK2MAPK1
SCHEMBL8318496 0.75 CDK2 (0.53) EIF2AK2CDK4CDK2SYKJAK2
SCHEMBL8321179 0.75 CDK4 (0.57) EIF2AK2CDK4CDK2JAK2NPSR1
SCHEMBL8317628 0.74 EIF2AK2 (0.42) EIF2AK2CDK4CDK2SYKDYRK1A

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-2004083203-A1 COMPOSITIONS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2004-09-30 WO disclosed