SCHEMBL6033232

SCHEMBL6033232

Nc1nccc(-c2ccc(C(=O)NCC(O)Cc3ccc(Cl)cc3Cl)s2)n1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 19/20 0.73
MET P08581 1/20 0.57
KIT P10721 1/20 0.57
PRKCA P17252 1/20 0.57
PRKACA P17612 1/20 0.57
PRKACG P22612 1/20 0.57
PRKACB P22694 1/20 0.57
MAPK3 P27361 1/20 0.57
AKT1 P31749 1/20 0.57
AKT2 P31751 1/20 0.57
CAMK2A Q9UQM7 1/20 0.57
CDC7 O00311 1/20 0.41
CCNT1 O60563 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CSNK1D P48730 1/20 0.41
CDK9 P50750 1/20 0.41
CSNK2B P67870 1/20 0.41

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
SCHEMBL6032629 0.87 AKT3 (0.75) AKT3METKITPRKCAPRKACA
SCHEMBL4926792 0.86 AKT3 (0.81) AKT3METKITPRKCAPRKACA
SCHEMBL5000551 0.85 AKT3 (1.00) AKT3METKITPRKCAPRKACA
SCHEMBL5000535 0.84 AKT3 (0.79) AKT3METKITPRKCAPRKACA
SCHEMBL5000410 0.84 AKT3 (0.79) AKT3METKITPRKCAPRKACA
SCHEMBL5004022 0.82 AKT3 (0.78) AKT3METKITPRKCAPRKACA
SCHEMBL5000293 0.81 AKT3 (0.81) AKT3METKITPRKCAPRKACA
SCHEMBL5003668 0.81 AKT3 (0.79) AKT3METKITPRKCAPRKACA
SCHEMBL5000473 0.81 AKT3 (0.61) AKT3METKITPRKCAPRKACA
SCHEMBL5000479 0.81 AKT3 (0.61) 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