SCHEMBL6016048

SCHEMBL6016048

C=C1C(=O)NSc2cccc(-c3c[nH]c4ccccc34)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCB P05771 8/20 0.44
PRKCA P17252 3/20 0.44
SIRT2 Q8IXJ6 2/20 0.44
CAMK2D Q13557 2/20 0.44
PRKD3 O94806 1/20 0.44
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
ABL1 P00519 1/20 0.44
PRKCG P05129 1/20 0.44
CDK1 P06493 1/20 0.44
PIM1 P11309 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
CCND1 P24385 1/20 0.44
PRKCH P24723 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL5329180 0.70 KDR (0.55) PRKCBPRKCASIRT2CAMK2DPRKD3
SCHEMBL6015859 0.70 PDK2 (0.39)
SCHEMBL4556996 0.68 PTPRC (0.45) PRKCBPRKCASIRT2CAMK2DPRKD3
SCHEMBL1202543 0.68 IMPDH2 (0.63) PRKCBPRKCASIRT2CAMK2DPRKD3
SCHEMBL6015962 0.68 NTRK1 (0.62) PRKCBPRKCASIRT2CAMK2DPRKD3
SCHEMBL10438759 0.66 SIRT2 (0.58) PRKCBPRKCASIRT2CAMK2DPRKD3
SCHEMBL18392162 0.65 SIRT2 (0.61) PRKCBPRKCASIRT2CAMK2DPRKD3
SCHEMBL4556994 0.65 PTPRC (0.47) PRKCBPRKCASIRT2CAMK2DPRKD3
SCHEMBL7198015 0.64 SIRT2 (0.44) PRKCBPRKCASIRT2CAMK2DPRKD3
SCHEMBL3291196 0.64 ALDH1A1 (0.53) PRKCBPRKCASIRT2CAMK2DPRKD3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed