SCHEMBL6033202

SCHEMBL6033202

CNC(CCNC(=O)c1ccc(-c2ccnc(N)n2)s1)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 20/20 0.61
MET P08581 1/20 0.43
KIT P10721 1/20 0.43
PRKCA P17252 1/20 0.43
PRKACA P17612 1/20 0.43
PRKACG P22612 1/20 0.43
PRKACB P22694 1/20 0.43
MAPK3 P27361 1/20 0.43
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43

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
SCHEMBL4996871 0.88 AKT3 (0.55) AKT3METKITPRKCAPRKACA
SCHEMBL5000487 0.82 AKT3 (0.55) AKT3METKITPRKCAPRKACA
SCHEMBL5000473 0.81 AKT3 (0.61) AKT3METKITPRKCAPRKACA
SCHEMBL5000479 0.81 AKT3 (0.61) AKT3METKITPRKCAPRKACA
SCHEMBL5006487 0.81 UTS2R (0.52) AKT3
SCHEMBL5003908 0.81 AKT3 (0.74) AKT3
SCHEMBL13992687 0.80 AKT3 (0.57) AKT3METKITPRKCAPRKACA
SCHEMBL4918167 0.79 AKT3 (0.65) AKT3
SCHEMBL6033215 0.78 AKT3 (0.72) AKT3METKITPRKCAPRKACA
SCHEMBL5000551 0.76 AKT3 (1.00) AKT3METKITPRKCAPRKACA

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-1732919-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2006-12-20 EP claimed
WO-2005095386-A1 SUBSTITUTED THIOPHENE DERIVATIVES AS ANTI-CANCER AGENTS CHIRON CORPORATION (US) 2005-10-13 WO claimed