SCHEMBL14049072

SCHEMBL14049072

Bc1cnc2c(c1)c(-c1cnn(C(=O)OC(C)(C)C)c1)cn2S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.40
PTPN11 Q06124 1/20 0.40
SCD O00767 1/20 0.38
SCN9A Q15858 2/20 0.38
BRD4 O60885 3/20 0.36
ROCK2 O75116 1/20 0.35
PDPK1 O15530 2/20 0.34
PIK3CA P42336 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 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
SCHEMBL13746209 0.89 HTR6 (0.40) HTR6PTPN11SCDSCN9ABRD4
SCHEMBL8192188 0.81 PDPK1 (0.47) HTR6PTPN11BRD4PDPK1
SCHEMBL16697223 0.81 HTR6 (0.46) HTR6SCDSCN9AROCK2PDPK1
SCHEMBL3506204 0.80 BRD4 (0.40) HTR6PTPN11SCDSCN9ABRD4
SCHEMBL16697663 0.79 HTR6 (0.47) HTR6SCDSCN9APDPK1PIK3C3
SCHEMBL16697816 0.79 HTR6 (0.46) HTR6SCDSCN9APDPK1
SCHEMBL3507232 0.78 CYP2C19 (0.43) HTR6SCDSCN9AROCK2PIK3CA
SCHEMBL8488593 0.78 HTR6 (0.38) HTR6PTPN11BRD4PDPK1DRD2
SCHEMBL3505606 0.76 BRD4 (0.39) HTR6PTPN11SCDSCN9ABRD4
SCHEMBL25924807 0.74 TNK2 (0.46) HTR6

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-7432375-B2 JNK inhibitors EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-10-07 US disclosed